CID 12453023

53432-87-4

Structural Information

Molecular Formula

C₇H₁₂O₂

SMILES

CCOC(=O)CC1CC1

InChI

InChI=1S/C7H12O2/c1-2-9-7(8)5-6-3-4-6/h6H,2-5H2,1H3

InChIKey

AODPICOFZRYWKI-UHFFFAOYSA-N

Compound name

ethyl 2-cyclopropylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 171
Patents: 128.08372 Da
Monoisotopic Mass: 1.5
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	127.5
[M+Na]+	151.072938	136.4
[M-H]-	127.076444	132.3
[M+NH4]+	146.117543	144.9
[M+K]+	167.046878	135.4
[M+H-H2O]+	111.080980	121.8
[M+HCOO]-	173.081921	151.1
[M+CH3COO]-	187.097571	175.6
[M+Na-2H]-	149.058386	133.4
[M]+	128.08317142	131.8
[M]-	128.08426858	131.8

Literature stripe

literature stripe

Patent stripe

patents stripe