CID 66739077

Methyl 2-(1-methylcyclopropyl)acetate

Structural Information

Molecular Formula

C₇H₁₂O₂

SMILES

CC1(CC1)CC(=O)OC

InChI

InChI=1S/C7H12O2/c1-7(3-4-7)5-6(8)9-2/h3-5H2,1-2H3

InChIKey

LEWAQEZLIHKFJR-UHFFFAOYSA-N

Compound name

methyl 2-(1-methylcyclopropyl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 128.08372 Da
Monoisotopic Mass: 1.6
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]+	129.090996	127.9
[M+Na]+	151.072938	137.4
[M-H]-	127.076444	133.0
[M+NH4]+	146.117543	147.2
[M+K]+	167.046878	137.3
[M+H-H2O]+	111.080980	123.5
[M+HCOO]-	173.081921	151.0
[M+CH3COO]-	187.097571	175.1
[M+Na-2H]-	149.058386	134.8
[M]+	128.08317142	132.6
[M]-	128.08426858	132.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe