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

122
Patents

124.0749 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.08218 129.1
[M+Na]+ 147.06412 139.9
[M-H]- 123.06762 131.4
[M+NH4]+ 142.10872 143.2
[M+K]+ 163.03806 135.4
[M+H-H2O]+ 107.07216 121.2
[M+HCOO]- 169.07310 151.2
[M+CH3COO]- 183.08875 141.8
[M+Na-2H]- 145.04957 134.9
[M]+ 124.07435 127.7
[M]- 124.07545 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