CID 55285911

1229625-44-8

Structural Information

Molecular Formula

C₆H₁₄N₂

SMILES

CN(C)C1CC(C1)N

InChI

InChI=1S/C6H14N2/c1-8(2)6-3-5(7)4-6/h5-6H,3-4,7H2,1-2H3

InChIKey

JNMHKIHUTNBSJN-UHFFFAOYSA-N

Compound name

1-N,1-N-dimethylcyclobutane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 76
Patents: 114.1157 Da
Monoisotopic Mass: -0.1
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	126.4
[M+Na]+	137.104918	131.0
[M-H]-	113.108424	130.9
[M+NH4]+	132.149523	142.4
[M+K]+	153.078858	134.8
[M+H-H2O]+	97.112960	115.3
[M+HCOO]-	159.113901	150.0
[M+CH3COO]-	173.129551	182.1
[M+Na-2H]-	135.090366	130.8
[M]+	114.11515142	132.3
[M]-	114.11624858	132.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe