CID 137628446

Npeox-so4

Structural Information

Molecular Formula
C19H32O6S
SMILES
CCCCCCCCCC1=CC=C(C=C1)OCCOCCOS(=O)(=O)O
InChI
InChI=1S/C19H32O6S/c1-2-3-4-5-6-7-8-9-18-10-12-19(13-11-18)24-16-14-23-15-17-25-26(20,21)22/h10-13H,2-9,14-17H2,1H3,(H,20,21,22)
InChIKey
LTPRIPYCXJPJLM-UHFFFAOYSA-N
Compound name
2-[2-(4-nonylphenoxy)ethoxy]ethyl hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.19196 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.19924 193.2
[M+Na]+ 411.18118 196.6
[M-H]- 387.18468 193.7
[M+NH4]+ 406.22578 204.3
[M+K]+ 427.15512 192.9
[M+H-H2O]+ 371.18922 185.2
[M+HCOO]- 433.19016 207.7
[M+CH3COO]- 447.20581 214.5
[M+Na-2H]- 409.16663 193.5
[M]+ 388.19141 203.9
[M]- 388.19251 203.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.