CID 2756463

5-(propan-2-yl)-4h-1,2,4-triazol-3-amine

Structural Information

Molecular Formula
C5H10N4
SMILES
CC(C)C1=NC(=NN1)N
InChI
InChI=1S/C5H10N4/c1-3(2)4-7-5(6)9-8-4/h3H,1-2H3,(H3,6,7,8,9)
InChIKey
MDLFQCVYROBFIW-UHFFFAOYSA-N
Compound name
5-propan-2-yl-1H-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

202
Patents

126.090546 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.097822 126.4
[M+Na]+ 149.079764 134.9
[M-H]- 125.083270 124.7
[M+NH4]+ 144.124369 145.3
[M+K]+ 165.053704 133.1
[M+H-H2O]+ 109.087806 119.0
[M+HCOO]- 171.088747 147.0
[M+CH3COO]- 185.104397 171.1
[M+Na-2H]- 147.065212 131.1
[M]+ 126.08999742 123.2
[M]- 126.09109458 123.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe