CID 5312340

10-methylenestearic acid

Structural Information

Molecular Formula
C19H36O2
SMILES
CCCCCCCCC(=C)CCCCCCCCC(=O)O
InChI
InChI=1S/C19H36O2/c1-3-4-5-6-9-12-15-18(2)16-13-10-7-8-11-14-17-19(20)21/h2-17H2,1H3,(H,20,21)
InChIKey
WLVDYCRJAOTRPO-UHFFFAOYSA-N
Compound name
10-methylideneoctadecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

296.27155 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.27883 182.8
[M+Na]+ 319.26077 184.3
[M-H]- 295.26427 179.4
[M+NH4]+ 314.30537 197.4
[M+K]+ 335.23471 180.4
[M+H-H2O]+ 279.26881 176.3
[M+HCOO]- 341.26975 199.7
[M+CH3COO]- 355.28540 207.4
[M+Na-2H]- 317.24622 179.9
[M]+ 296.27100 187.3
[M]- 296.27210 187.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe