CID 6436390

13533-08-9

Structural Information

Molecular Formula
C22H40O2
SMILES
CCCCCCCC/C=C\CCCCCCCCOC(=O)C(=C)C
InChI
InChI=1S/C22H40O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-22(23)21(2)3/h11-12H,2,4-10,13-20H2,1,3H3/b12-11-
InChIKey
BXOBFMUWVVHLFK-QXMHVHEDSA-N
Compound name
[(Z)-octadec-9-enyl] 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1644
Patents

336.30283 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.31011 194.4
[M+Na]+ 359.29205 195.7
[M-H]- 335.29555 192.0
[M+NH4]+ 354.33665 208.3
[M+K]+ 375.26599 191.3
[M+H-H2O]+ 319.30009 187.3
[M+HCOO]- 381.30103 212.1
[M+CH3COO]- 395.31668 216.8
[M+Na-2H]- 357.27750 190.6
[M]+ 336.30228 201.2
[M]- 336.30338 201.2
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