CID 60911959

1-cyclohexyl-1h-1,2,4-triazol-3-amine

Structural Information

Molecular Formula
C8H14N4
SMILES
C1CCC(CC1)N2C=NC(=N2)N
InChI
InChI=1S/C8H14N4/c9-8-10-6-12(11-8)7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,9,11)
InChIKey
HADFJARZQWSNHR-UHFFFAOYSA-N
Compound name
1-cyclohexyl-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.12184 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.