CID 10511074

136823-41-1

Structural Information

Molecular Formula

C₉H₁₄O₂

SMILES

COC(=O)/C=C/C1CCCC1

InChI

InChI=1S/C9H14O2/c1-11-9(10)7-6-8-4-2-3-5-8/h6-8H,2-5H2,1H3/b7-6+

InChIKey

DKBNVGOWHNOALZ-VOTSOKGWSA-N

Compound name

methyl (E)-3-cyclopentylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 93
Patents: 154.09938 Da
Monoisotopic Mass: 2.6
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]+	155.10666	135.6
[M+Na]+	177.08860	141.3
[M-H]-	153.09210	138.5
[M+NH4]+	172.13320	158.2
[M+K]+	193.06254	140.3
[M+H-H2O]+	137.09664	130.3
[M+HCOO]-	199.09758	157.8
[M+CH3COO]-	213.11323	173.9
[M+Na-2H]-	175.07405	138.2
[M]+	154.09883	133.9
[M]-	154.09993	133.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe