CID 111091

Dicyclopropylmethane

Structural Information

Molecular Formula

C₇H₁₂

SMILES

C1CC1CC2CC2

InChI

InChI=1S/C7H12/c1-2-6(1)5-7-3-4-7/h6-7H,1-5H2

InChIKey

LLVRMRMMZQPDAK-UHFFFAOYSA-N

Compound name

cyclopropylmethylcyclopropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1239
Patents: 96.0939 Da
Monoisotopic Mass: 3.0
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]+	97.101176	129.8
[M+Na]+	119.083118	137.4
[M-H]-	95.086624	137.2
[M+NH4]+	114.127723	141.4
[M+K]+	135.057058	137.0
[M+H-H2O]+	79.091160	123.9
[M+HCOO]-	141.092101	150.9
[M+CH3COO]-	155.107751	182.5
[M+Na-2H]-	117.068566	135.2
[M]+	96.09335142	132.4
[M]-	96.09444858	132.4

Literature stripe

literature stripe

Patent stripe

patents stripe