CID 15170031

Ns00095014

Structural Information

Molecular Formula
C15H32O6S
SMILES
CCCCCCCCCCCOCCOCCOS(=O)(=O)O
InChI
InChI=1S/C15H32O6S/c1-2-3-4-5-6-7-8-9-10-11-19-12-13-20-14-15-21-22(16,17)18/h2-15H2,1H3,(H,16,17,18)
InChIKey
CGVYRMATNNEWDH-UHFFFAOYSA-N
Compound name
2-(2-undecoxyethoxy)ethyl hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

340.19196 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.199236 181.8
[M+Na]+ 363.181178 184.8
[M-H]- 339.184684 178.9
[M+NH4]+ 358.225783 194.9
[M+K]+ 379.155118 182.3
[M+H-H2O]+ 323.189220 175.0
[M+HCOO]- 385.190161 196.0
[M+CH3COO]- 399.205811 205.9
[M+Na-2H]- 361.166626 182.0
[M]+ 340.19141142 193.3
[M]- 340.19250858 193.3
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