CID 5352771

Farnesyl butanoate

Structural Information

Molecular Formula
C19H32O2
SMILES
CCCC(=O)OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C
InChI
InChI=1S/C19H32O2/c1-6-9-19(20)21-15-14-18(5)13-8-12-17(4)11-7-10-16(2)3/h10,12,14H,6-9,11,13,15H2,1-5H3/b17-12+,18-14+
InChIKey
GPNSLSVRBMEOCK-NXGXIAAHSA-N
Compound name
[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

292.24023 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.24751 179.6
[M+Na]+ 315.22945 182.2
[M-H]- 291.23295 178.1
[M+NH4]+ 310.27405 195.2
[M+K]+ 331.20339 178.9
[M+H-H2O]+ 275.23749 173.5
[M+HCOO]- 337.23843 196.6
[M+CH3COO]- 351.25408 207.3
[M+Na-2H]- 313.21490 174.9
[M]+ 292.23968 183.1
[M]- 292.24078 183.1
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