CID 79002420

1-(aminomethyl)-n-methylcyclobutan-1-amine

Structural Information

Molecular Formula

C₆H₁₄N₂

SMILES

CNC1(CCC1)CN

InChI

InChI=1S/C6H14N2/c1-8-6(5-7)3-2-4-6/h8H,2-5,7H2,1H3

InChIKey

QQNQTARUSRGFQV-UHFFFAOYSA-N

Compound name

1-(aminomethyl)-N-methylcyclobutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 114.1157 Da
Monoisotopic Mass: -0.4
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	126.3
[M+Na]+	137.104918	130.8
[M-H]-	113.108424	129.4
[M+NH4]+	132.149523	143.4
[M+K]+	153.078858	133.2
[M+H-H2O]+	97.112960	116.6
[M+HCOO]-	159.113901	149.5
[M+CH3COO]-	173.129551	177.2
[M+Na-2H]-	135.090366	133.2
[M]+	114.11515142	131.0
[M]-	114.11624858	131.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe