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

104
Patents

226.19328 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.200556 159.2
[M+Na]+ 249.182498 163.6
[M-H]- 225.186004 158.2
[M+NH4]+ 244.227103 177.6
[M+K]+ 265.156438 161.4
[M+H-H2O]+ 209.190540 153.3
[M+HCOO]- 271.191481 180.3
[M+CH3COO]- 285.207131 193.7
[M+Na-2H]- 247.167946 160.8
[M]+ 226.19273142 164.4
[M]- 226.19382858 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