CID 18814

3385-21-5

Structural Information

Molecular Formula

C₆H₁₄N₂

SMILES

C1CC(CC(C1)N)N

InChI

InChI=1S/C6H14N2/c7-5-2-1-3-6(8)4-5/h5-6H,1-4,7-8H2

InChIKey

GEQHKFFSPGPGLN-UHFFFAOYSA-N

Compound name

cyclohexane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 2
References: 18385
Patents: 114.1157 Da
Monoisotopic Mass: -0.3
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]+	115.12298	124.1
[M+Na]+	137.10492	128.9
[M-H]-	113.10842	126.2
[M+NH4]+	132.14952	145.6
[M+K]+	153.07886	127.6
[M+H-H2O]+	97.112960	118.6
[M+HCOO]-	159.11390	146.0
[M+CH3COO]-	173.12955	172.8
[M+Na-2H]-	135.09037	128.6
[M]+	114.11515	115.4
[M]-	114.11625	115.4

Literature stripe

literature stripe

Patent stripe

patents stripe