CID 56935995

(z)-11-hexadecenyl formate

Structural Information

Molecular Formula
C17H32O2
SMILES
CCCC/C=C\CCCCCCCCCCOC=O
InChI
InChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-17-18/h5-6,17H,2-4,7-16H2,1H3/b6-5-
InChIKey
ICMRKBGNISBFNF-WAYWQWQTSA-N
Compound name
[(Z)-hexadec-11-enyl] formate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

268.24023 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.24751 172.0
[M+Na]+ 291.22945 175.3
[M-H]- 267.23295 170.3
[M+NH4]+ 286.27405 188.7
[M+K]+ 307.20339 172.0
[M+H-H2O]+ 251.23749 165.4
[M+HCOO]- 313.23843 193.1
[M+CH3COO]- 327.25408 202.0
[M+Na-2H]- 289.21490 173.3
[M]+ 268.23968 179.0
[M]- 268.24078 179.0
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