CID 4552098

5-cyclopentyl-4h-1,2,4-triazol-3-amine

Structural Information

Molecular Formula
C7H12N4
SMILES
C1CCC(C1)C2=NC(=NN2)N
InChI
InChI=1S/C7H12N4/c8-7-9-6(10-11-7)5-3-1-2-4-5/h5H,1-4H2,(H3,8,9,10,11)
InChIKey
NNTDOOSCXNZOBK-UHFFFAOYSA-N
Compound name
5-cyclopentyl-1H-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.1062 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.113476 131.7
[M+Na]+ 175.095418 138.6
[M-H]- 151.098924 132.7
[M+NH4]+ 170.140023 150.8
[M+K]+ 191.069358 136.2
[M+H-H2O]+ 135.103460 123.2
[M+HCOO]- 197.104401 152.0
[M+CH3COO]- 211.120051 143.8
[M+Na-2H]- 173.080866 134.4
[M]+ 152.10565142 125.5
[M]- 152.10674858 125.5
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.