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: 251
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]+	115.075356	123.2
[M+Na]+	137.057298	132.5
[M-H]-	113.060804	128.1
[M+NH4]+	132.101903	141.1
[M+K]+	153.031238	131.7
[M+H-H2O]+	97.065340	117.7
[M+HCOO]-	159.066281	147.0
[M+CH3COO]-	173.081931	172.7
[M+Na-2H]-	135.042746	129.6
[M]+	114.06753142	127.1
[M]-	114.06862858	127.1

Literature stripe

literature stripe

Patent stripe

patents stripe