CID 4552098

202403-46-1

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]+ 153.11348 131.7
[M+Na]+ 175.09542 138.6
[M-H]- 151.09892 132.7
[M+NH4]+ 170.14002 150.8
[M+K]+ 191.06936 136.2
[M+H-H2O]+ 135.10346 123.2
[M+HCOO]- 197.10440 152.0
[M+CH3COO]- 211.12005 143.8
[M+Na-2H]- 173.08087 134.4
[M]+ 152.10565 125.5
[M]- 152.10675 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.