CID 11657

Methylcyclopropane

Structural Information

Molecular Formula

C₄H₈

SMILES

CC1CC1

InChI

InChI=1S/C4H8/c1-4-2-3-4/h4H,2-3H2,1H3

InChIKey

VNXBKJFUJUWOCW-UHFFFAOYSA-N

Compound name

methylcyclopropane

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 130
References: 104221
Patents: 56.0626 Da
Monoisotopic Mass: 1.9
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]+	57.069876	107.9
[M+Na]+	79.051818	117.9
[M-H]-	55.055324	113.2
[M+NH4]+	74.096423	128.2
[M+K]+	95.025758	117.5
[M+H-H2O]+	39.059860	102.9
[M+HCOO]-	101.06080	132.8
[M+CH3COO]-	115.07645	164.0
[M+Na-2H]-	77.037266	116.9
[M]+	56.062051	109.6
[M]-	56.063149	109.6

Literature stripe

literature stripe

Patent stripe

patents stripe