CID 96136

Undec-10-enyl propanoate

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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	227.20056	158.4
[M+Na]+	249.18250	167.2
[M+NH4]+	244.22710	164.7
[M+K]+	265.15644	160.0
[M-H]-	225.18600	157.0
[M+Na-2H]-	247.16795	160.0
[M]+	226.19273	159.0
[M]-	226.19383	159.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe