CID 566828

15285-16-2

Structural Information

Molecular Formula
C3H6N4
SMILES
CNC1=NC=NN1
InChI
InChI=1S/C3H6N4/c1-4-3-5-2-6-7-3/h2H,1H3,(H2,4,5,6,7)
InChIKey
NOWPYQNOYJQXPV-UHFFFAOYSA-N
Compound name
N-methyl-1H-1,2,4-triazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

147
Patents

98.05925 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.066526 116.1
[M+Na]+ 121.04847 124.8
[M-H]- 97.051974 114.7
[M+NH4]+ 116.09307 136.1
[M+K]+ 137.02241 123.5
[M+H-H2O]+ 81.056510 108.6
[M+HCOO]- 143.05745 138.9
[M+CH3COO]- 157.07310 163.8
[M+Na-2H]- 119.03392 124.9
[M]+ 98.058701 113.4
[M]- 98.059799 113.4
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