CID 20836326

Cis-3-octenyl propionate

Structural Information

Molecular Formula
C11H20O2
SMILES
CCCC/C=C\CCOC(=O)CC
InChI
InChI=1S/C11H20O2/c1-3-5-6-7-8-9-10-13-11(12)4-2/h7-8H,3-6,9-10H2,1-2H3/b8-7-
InChIKey
NTQOADMSKSBQCI-FPLPWBNLSA-N
Compound name
[(Z)-oct-3-enyl] propanoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

43
Patents

184.14633 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.15361 145.4
[M+Na]+ 207.13555 154.8
[M+NH4]+ 202.18015 152.2
[M+K]+ 223.10949 148.3
[M-H]- 183.13905 144.1
[M+Na-2H]- 205.12100 147.7
[M]+ 184.14578 146.1
[M]- 184.14688 146.1
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