CID 55284100

3-(aminomethyl)-1,4-dimethyl-4,5-dihydro-1h-1,2,4-triazol-5-onehydrochloride

Structural Information

Molecular Formula
C5H10N4O
SMILES
CN1C(=NN(C1=O)C)CN
InChI
InChI=1S/C5H10N4O/c1-8-4(3-6)7-9(2)5(8)10/h3,6H2,1-2H3
InChIKey
PNFXOKOOZZBNAI-UHFFFAOYSA-N
Compound name
5-(aminomethyl)-2,4-dimethyl-1,2,4-triazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

142.08546 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.09274 127.4
[M+Na]+ 165.07468 138.7
[M-H]- 141.07818 127.8
[M+NH4]+ 160.11928 147.0
[M+K]+ 181.04862 137.1
[M+H-H2O]+ 125.08272 120.3
[M+HCOO]- 187.08366 150.9
[M+CH3COO]- 201.09931 176.4
[M+Na-2H]- 163.06013 132.3
[M]+ 142.08491 128.2
[M]- 142.08601 128.2
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.