CID 87357036

Npeo9-so4

Structural Information

Molecular Formula
C33H60O13S
SMILES
CCCCCCCCCC1=CC=C(C=C1)OCCOCCOCCOCCOCCOCCOCCOCCOCCOS(=O)(=O)O
InChI
InChI=1S/C33H60O13S/c1-2-3-4-5-6-7-8-9-32-10-12-33(13-11-32)45-30-28-43-26-24-41-22-20-39-18-16-37-14-15-38-17-19-40-21-23-42-25-27-44-29-31-46-47(34,35)36/h10-13H,2-9,14-31H2,1H3,(H,34,35,36)
InChIKey
SPRDWZPIHOHLNP-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

696.3755 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 697.38278 261.0
[M+Na]+ 719.36472 260.2
[M-H]- 695.36822 249.0
[M+NH4]+ 714.40932 265.1
[M+K]+ 735.33866 257.4
[M+H-H2O]+ 679.37276 260.2
[M+HCOO]- 741.37370 275.7
[M+CH3COO]- 755.38935 266.9
[M+Na-2H]- 717.35017 241.6
[M]+ 696.37495 265.3
[M]- 696.37605 265.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.