CID 169349

Ammonium 2-(4-nonylphenoxy)ethyl sulfate

Structural Information

Molecular Formula
C17H28O5S
SMILES
CCCCCCCCCC1=CC=C(C=C1)OCCOS(=O)(=O)O
InChI
InChI=1S/C17H28O5S/c1-2-3-4-5-6-7-8-9-16-10-12-17(13-11-16)21-14-15-22-23(18,19)20/h10-13H,2-9,14-15H2,1H3,(H,18,19,20)
InChIKey
LYXIQGSHERAWKV-UHFFFAOYSA-N
Compound name
2-(4-nonylphenoxy)ethyl hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

503
Patents

344.16574 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.17302 182.5
[M+Na]+ 367.15496 191.2
[M+NH4]+ 362.19956 187.5
[M+K]+ 383.12890 183.4
[M-H]- 343.15846 181.5
[M+Na-2H]- 365.14041 184.9
[M]+ 344.16519 183.7
[M]- 344.16629 183.7
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

patents stripe