CID 6271720

Methyl gorlate

Structural Information

Molecular Formula
C19H32O2
SMILES
COC(=O)CCCC/C=C\CCCCCCC1CCC=C1
InChI
InChI=1S/C19H32O2/c1-21-19(20)17-11-9-7-5-3-2-4-6-8-10-14-18-15-12-13-16-18/h3,5,12,15,18H,2,4,6-11,13-14,16-17H2,1H3/b5-3-
InChIKey
FWVHFWVSFHFRBX-HYXAFXHYSA-N
Compound name
methyl (Z)-13-cyclopent-2-en-1-yltridec-6-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.24023 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.24751 179.9
[M+Na]+ 315.22945 182.3
[M-H]- 291.23295 181.2
[M+NH4]+ 310.27405 196.9
[M+K]+ 331.20339 178.5
[M+H-H2O]+ 275.23749 172.6
[M+HCOO]- 337.23843 200.1
[M+CH3COO]- 351.25408 203.6
[M+Na-2H]- 313.21490 178.0
[M]+ 292.23968 183.3
[M]- 292.24078 183.3
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

No patent data available for this compound.