CID 5066077

Methanesulfonic acid erucyl ester

Structural Information

Molecular Formula
C23H46O3S
SMILES
CCCCCCCCC=CCCCCCCCCCCCCOS(=O)(=O)C
InChI
InChI=1S/C23H46O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-27(2,24)25/h10-11H,3-9,12-23H2,1-2H3
InChIKey
LQEQEAAOCYCCFX-UHFFFAOYSA-N
Compound name
docos-13-enyl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

402.31677 Da
Monoisotopic Mass

9.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.32405 207.4
[M+Na]+ 425.30599 213.1
[M+NH4]+ 420.35059 211.4
[M+K]+ 441.27993 202.7
[M-H]- 401.30949 204.5
[M+Na-2H]- 423.29144 205.5
[M]+ 402.31622 207.5
[M]- 402.31732 207.5
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