CID 10287028

Sodium 2-hexadecyloxyethyl sulfate

Structural Information

Molecular Formula
C18H38O5S
SMILES
CCCCCCCCCCCCCCCCOCCOS(=O)(=O)O
InChI
InChI=1S/C18H38O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-17-18-23-24(19,20)21/h2-18H2,1H3,(H,19,20,21)
InChIKey
HKQRNFNHJGCLST-UHFFFAOYSA-N
Compound name
2-hexadecoxyethyl hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

281
Patents

366.244 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.25128 192.1
[M+Na]+ 389.23322 194.1
[M-H]- 365.23672 188.7
[M+NH4]+ 384.27782 204.3
[M+K]+ 405.20716 190.3
[M+H-H2O]+ 349.24126 185.0
[M+HCOO]- 411.24220 205.1
[M+CH3COO]- 425.25785 212.7
[M+Na-2H]- 387.21867 190.7
[M]+ 366.24345 203.3
[M]- 366.24455 203.3
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

patents stripe