CID 13838830

(1r,2r)-4-cyclohexene-1,2-diamine

Structural Information

Molecular Formula

C₆H₁₂N₂

SMILES

C1C=CC[C@H]([C@@H]1N)N

InChI

InChI=1S/C6H12N2/c7-5-3-1-2-4-6(5)8/h1-2,5-6H,3-4,7-8H2/t5-,6-/m1/s1

InChIKey

ZDENNVQHCXLZDN-PHDIDXHHSA-N

Compound name

(1R,2R)-cyclohex-4-ene-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 114
Patents: 112.10005 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]+	113.10733	122.1
[M+Na]+	135.08927	128.0
[M-H]-	111.09277	124.6
[M+NH4]+	130.13387	143.8
[M+K]+	151.06321	126.5
[M+H-H2O]+	95.097310	116.7
[M+HCOO]-	157.09825	145.5
[M+CH3COO]-	171.11390	172.4
[M+Na-2H]-	133.07472	127.7
[M]+	112.09950	114.9
[M]-	112.10060	114.9

Literature stripe

literature stripe

Patent stripe

patents stripe