CID 55284100

2913241-45-7

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]+ 143.092736 127.4
[M+Na]+ 165.074678 138.7
[M-H]- 141.078184 127.8
[M+NH4]+ 160.119283 147.0
[M+K]+ 181.048618 137.1
[M+H-H2O]+ 125.082720 120.3
[M+HCOO]- 187.083661 150.9
[M+CH3COO]- 201.099311 176.4
[M+Na-2H]- 163.060126 132.3
[M]+ 142.08491142 128.2
[M]- 142.08600858 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.