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]+ 129.07709 123.8
[M+Na]+ 151.05903 134.1
[M-H]- 127.06253 122.5
[M+NH4]+ 146.10363 142.9
[M+K]+ 167.03297 131.9
[M+H-H2O]+ 111.06707 116.7
[M+HCOO]- 173.06801 146.0
[M+CH3COO]- 187.08366 169.7
[M+Na-2H]- 149.04448 129.4
[M]+ 128.06926 121.9
[M]- 128.07036 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