CID 85855833

58173-91-4

Structural Information

Molecular Formula

C₉H₁₄O₂

SMILES

COC(=O)C1CCCC(=C)C1

InChI

InChI=1S/C9H14O2/c1-7-4-3-5-8(6-7)9(10)11-2/h8H,1,3-6H2,2H3

InChIKey

MHVYMIYAZUWUEH-UHFFFAOYSA-N

Compound name

methyl 3-methylidenecyclohexane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 154.09938 Da
Monoisotopic Mass: 1.7
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]+	155.106656	132.7
[M+Na]+	177.088598	138.4
[M-H]-	153.092104	135.8
[M+NH4]+	172.133203	153.8
[M+K]+	193.062538	137.5
[M+H-H2O]+	137.096640	127.6
[M+HCOO]-	199.097581	152.8
[M+CH3COO]-	213.113231	176.0
[M+Na-2H]-	175.074046	136.2
[M]+	154.09883142	129.5
[M]-	154.09992858	129.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe