CID 179456

Ns00095015

Structural Information

Molecular Formula
C17H36O7S
SMILES
CCCCCCCCCCCOCCOCCOCCOS(=O)(=O)O
InChI
InChI=1S/C17H36O7S/c1-2-3-4-5-6-7-8-9-10-11-21-12-13-22-14-15-23-16-17-24-25(18,19)20/h2-17H2,1H3,(H,18,19,20)
InChIKey
MNWURJLLZZSCBW-UHFFFAOYSA-N
Compound name
2-[2-(2-undecoxyethoxy)ethoxy]ethyl hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

384.21817 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.225446 192.4
[M+Na]+ 407.207388 194.3
[M-H]- 383.210894 189.0
[M+NH4]+ 402.251993 200.5
[M+K]+ 423.181328 191.9
[M+H-H2O]+ 367.215430 185.0
[M+HCOO]- 429.216371 216.3
[M+CH3COO]- 443.232021 213.7
[M+Na-2H]- 405.192836 192.1
[M]+ 384.21762142 206.1
[M]- 384.21871858 206.1
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