CID 137995

Isopropylcyclopropane

Structural Information

Molecular Formula

C₆H₁₂

SMILES

CC(C)C1CC1

InChI

InChI=1S/C6H12/c1-5(2)6-3-4-6/h5-6H,3-4H2,1-2H3

InChIKey

HPBROFGYTXOJIO-UHFFFAOYSA-N

Compound name

propan-2-ylcyclopropane

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 3
References: 5580
Patents: 84.0939 Da
Monoisotopic Mass: 2.7
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]+	85.101176	116.2
[M+Na]+	107.083118	125.1
[M-H]-	83.086624	121.1
[M+NH4]+	102.127723	135.4
[M+K]+	123.057058	124.5
[M+H-H2O]+	67.091160	110.9
[M+HCOO]-	129.092101	139.5
[M+CH3COO]-	143.107751	170.6
[M+Na-2H]-	105.068566	122.9
[M]+	84.09335142	118.0
[M]-	84.09444858	118.0

Literature stripe

literature stripe

Patent stripe

patents stripe