CID 3017327

Methyl 6-methylcyclohex-3-ene-1-carboxylate

Structural Information

Molecular Formula

C₉H₁₄O₂

SMILES

CC1CC=CCC1C(=O)OC

InChI

InChI=1S/C9H14O2/c1-7-5-3-4-6-8(7)9(10)11-2/h3-4,7-8H,5-6H2,1-2H3

InChIKey

SVMRMDDGGIZFQN-UHFFFAOYSA-N

Compound name

methyl 6-methylcyclohex-3-ene-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 154.09938 Da
Monoisotopic Mass: 2.0
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	132.2
[M+Na]+	177.088598	138.6
[M-H]-	153.092104	135.7
[M+NH4]+	172.133203	153.5
[M+K]+	193.062538	138.2
[M+H-H2O]+	137.096640	127.0
[M+HCOO]-	199.097581	153.6
[M+CH3COO]-	213.113231	176.5
[M+Na-2H]-	175.074046	136.7
[M]+	154.09883142	131.2
[M]-	154.09992858	131.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe