CID 5363212

8z-pentadecenyl acetate

Structural Information

Molecular Formula
C17H32O2
SMILES
CCCCCC/C=C\CCCCCCCOC(=O)C
InChI
InChI=1S/C17H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-17(2)18/h8-9H,3-7,10-16H2,1-2H3/b9-8-
InChIKey
JRJANTMCKLVXCF-HJWRWDBZSA-N
Compound name
[(Z)-pentadec-8-enyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

268.24023 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.24751 173.1
[M+Na]+ 291.22945 176.3
[M-H]- 267.23295 171.6
[M+NH4]+ 286.27405 189.9
[M+K]+ 307.20339 173.4
[M+H-H2O]+ 251.23749 166.7
[M+HCOO]- 313.23843 193.2
[M+CH3COO]- 327.25408 202.0
[M+Na-2H]- 289.21490 173.1
[M]+ 268.23968 179.3
[M]- 268.24078 179.3
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