CID 81908907

1955499-30-5

Structural Information

Molecular Formula
C4H8N4O
SMILES
CN1C(=NNC1=O)CN
InChI
InChI=1S/C4H8N4O/c1-8-3(2-5)6-7-4(8)9/h2,5H2,1H3,(H,7,9)
InChIKey
ANWXQDLGWBYZCS-UHFFFAOYSA-N
Compound name
3-(aminomethyl)-4-methyl-1H-1,2,4-triazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

128.06981 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.077086 123.8
[M+Na]+ 151.059028 134.1
[M-H]- 127.062534 122.5
[M+NH4]+ 146.103633 142.9
[M+K]+ 167.032968 131.9
[M+H-H2O]+ 111.067070 116.7
[M+HCOO]- 173.068011 146.0
[M+CH3COO]- 187.083661 169.7
[M+Na-2H]- 149.044476 129.4
[M]+ 128.06926142 121.9
[M]- 128.07035858 121.9
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

patents stripe