CID 84021376

2551115-11-6

Structural Information

Molecular Formula

C₈H₁₄N₄

SMILES

C1CC(CCC1N)N2C=CN=N2

InChI

InChI=1S/C8H14N4/c9-7-1-3-8(4-2-7)12-6-5-10-11-12/h5-8H,1-4,9H2

InChIKey

VAWCWWMADSCPDU-UHFFFAOYSA-N

Compound name

4-(triazol-1-yl)cyclohexan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 166.12184 Da
Monoisotopic Mass: 0.0
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]+	167.12912	136.3
[M+Na]+	189.11106	142.5
[M-H]-	165.11456	138.0
[M+NH4]+	184.15566	153.7
[M+K]+	205.08500	140.1
[M+H-H2O]+	149.11910	127.2
[M+HCOO]-	211.12004	155.6
[M+CH3COO]-	225.13569	148.0
[M+Na-2H]-	187.09651	140.6
[M]+	166.12129	130.0
[M]-	166.12239	130.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe