CID 2758017

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

Structural Information

Molecular Formula
C5H8N4
SMILES
C1CC1C2=NC(=NN2)N
InChI
InChI=1S/C5H8N4/c6-5-7-4(8-9-5)3-1-2-3/h3H,1-2H2,(H3,6,7,8,9)
InChIKey
UKNDNCZZVHGBJQ-UHFFFAOYSA-N
Compound name
5-cyclopropyl-1H-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

130
Patents

124.0749 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.082176 129.1
[M+Na]+ 147.064118 139.9
[M-H]- 123.067624 131.4
[M+NH4]+ 142.108723 143.2
[M+K]+ 163.038058 135.4
[M+H-H2O]+ 107.072160 121.2
[M+HCOO]- 169.073101 151.2
[M+CH3COO]- 183.088751 141.8
[M+Na-2H]- 145.049566 134.9
[M]+ 124.07435142 127.7
[M]- 124.07544858 127.7
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

patents stripe