CID 6455037

Tetradecenyl sulfate (1:1), 2-(diethylamino)ethanol salt

Structural Information

Molecular Formula
C14H28O4S
SMILES
CCCCCCCCCCCC/C=C/OS(=O)(=O)O
InChI
InChI=1S/C14H28O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17/h13-14H,2-12H2,1H3,(H,15,16,17)/b14-13+
InChIKey
OUSGUIVCOBQTRD-BUHFOSPRSA-N
Compound name
[(E)-tetradec-1-enyl] hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.17084 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.17812 171.4
[M+Na]+ 315.16006 175.6
[M-H]- 291.16356 168.9
[M+NH4]+ 310.20466 186.7
[M+K]+ 331.13400 171.7
[M+H-H2O]+ 275.16810 165.3
[M+HCOO]- 337.16904 185.6
[M+CH3COO]- 351.18469 197.4
[M+Na-2H]- 313.14551 171.5
[M]+ 292.17029 178.9
[M]- 292.17139 178.9
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

No patent data available for this compound.