CID 28064235

1-isopropyl-5-methyl-1h-1,2,4-triazol-3-amine

Structural Information

Molecular Formula
C6H12N4
SMILES
CC1=NC(=NN1C(C)C)N
InChI
InChI=1S/C6H12N4/c1-4(2)10-5(3)8-6(7)9-10/h4H,1-3H3,(H2,7,9)
InChIKey
UVRLGILFHWSWKE-UHFFFAOYSA-N
Compound name
5-methyl-1-propan-2-yl-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

140.1062 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.113476 130.2
[M+Na]+ 163.095418 139.7
[M-H]- 139.098924 130.1
[M+NH4]+ 158.140023 149.6
[M+K]+ 179.069358 138.5
[M+H-H2O]+ 123.103460 122.7
[M+HCOO]- 185.104401 151.9
[M+CH3COO]- 199.120051 177.9
[M+Na-2H]- 161.080866 134.1
[M]+ 140.10565142 129.6
[M]- 140.10674858 129.6
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