CID 317679

Methyl 2-cyclopropylacetate

Structural Information

Molecular Formula

C₆H₁₀O₂

SMILES

COC(=O)CC1CC1

InChI

InChI=1S/C6H10O2/c1-8-6(7)4-5-2-3-5/h5H,2-4H2,1H3

InChIKey

CRBILHZMYDIQRQ-UHFFFAOYSA-N

Compound name

methyl 2-cyclopropylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 205
Patents: 114.06808 Da
Monoisotopic Mass: 1.2
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]+	115.07536	123.5
[M+Na]+	137.05730	135.4
[M+NH4]+	132.10190	132.4
[M+K]+	153.03124	131.9
[M-H]-	113.06080	131.0
[M+Na-2H]-	135.04275	131.1
[M]+	114.06753	128.2
[M]-	114.06863	128.2

Literature stripe

literature stripe

Patent stripe

patents stripe