CID 14221624

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

Structural Information

Molecular Formula
C3H5ClN4
SMILES
CN1C(=NC(=N1)N)Cl
InChI
InChI=1S/C3H5ClN4/c1-8-2(4)6-3(5)7-8/h1H3,(H2,5,7)
InChIKey
YPVSHERVUKNWKP-UHFFFAOYSA-N
Compound name
5-chloro-1-methyl-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

132.02028 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.02756 122.5
[M+Na]+ 155.00950 134.0
[M-H]- 131.01300 122.3
[M+NH4]+ 150.05410 142.9
[M+K]+ 170.98344 131.2
[M+H-H2O]+ 115.01754 115.7
[M+HCOO]- 177.01848 141.3
[M+CH3COO]- 191.03413 171.8
[M+Na-2H]- 152.99495 128.6
[M]+ 132.01973 122.9
[M]- 132.02083 122.9
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

No patent data available for this compound.