CID 96136

72928-24-6

Structural Information

Molecular Formula
C14H26O2
SMILES
CCC(=O)OCCCCCCCCCC=C
InChI
InChI=1S/C14H26O2/c1-3-5-6-7-8-9-10-11-12-13-16-14(15)4-2/h3H,1,4-13H2,2H3
InChIKey
MVNIQZNNNMCYJX-UHFFFAOYSA-N
Compound name
undec-10-enyl propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

105
Patents

226.19328 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.20056 159.2
[M+Na]+ 249.18250 163.6
[M-H]- 225.18600 158.2
[M+NH4]+ 244.22710 177.6
[M+K]+ 265.15644 161.4
[M+H-H2O]+ 209.19054 153.3
[M+HCOO]- 271.19148 180.3
[M+CH3COO]- 285.20713 193.7
[M+Na-2H]- 247.16795 160.8
[M]+ 226.19273 164.4
[M]- 226.19383 164.4
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

patents stripe