CID 3016267

3-methylcyclopentane-1,2-diamine

Structural Information

Molecular Formula

C₆H₁₄N₂

SMILES

CC1CCC(C1N)N

InChI

InChI=1S/C6H14N2/c1-4-2-3-5(7)6(4)8/h4-6H,2-3,7-8H2,1H3

InChIKey

RFRVEZFDDWKZOC-UHFFFAOYSA-N

Compound name

3-methylcyclopentane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 114.1157 Da
Monoisotopic Mass: -0.2
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]+	115.122976	124.1
[M+Na]+	137.104918	130.7
[M-H]-	113.108424	126.8
[M+NH4]+	132.149523	147.7
[M+K]+	153.078858	129.3
[M+H-H2O]+	97.112960	118.9
[M+HCOO]-	159.113901	148.0
[M+CH3COO]-	173.129551	173.7
[M+Na-2H]-	135.090366	126.7
[M]+	114.11515142	117.8
[M]-	114.11624858	117.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe