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

28
Patents

140.1062 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.11348 130.2
[M+Na]+ 163.09542 139.7
[M-H]- 139.09892 130.1
[M+NH4]+ 158.14002 149.6
[M+K]+ 179.06936 138.5
[M+H-H2O]+ 123.10346 122.7
[M+HCOO]- 185.10440 151.9
[M+CH3COO]- 199.12005 177.9
[M+Na-2H]- 161.08087 134.1
[M]+ 140.10565 129.6
[M]- 140.10675 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