CID 81908187

1955520-92-9

Structural Information

Molecular Formula
C5H10N4O
SMILES
CC(C1=NNC(=O)N1C)N
InChI
InChI=1S/C5H10N4O/c1-3(6)4-7-8-5(10)9(4)2/h3H,6H2,1-2H3,(H,8,10)
InChIKey
DTRBUPYMJCJJPE-UHFFFAOYSA-N
Compound name
3-(1-aminoethyl)-4-methyl-1H-1,2,4-triazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

142.08546 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.092736 128.7
[M+Na]+ 165.074678 138.4
[M-H]- 141.078184 127.5
[M+NH4]+ 160.119283 147.2
[M+K]+ 181.048618 136.4
[M+H-H2O]+ 125.082720 121.6
[M+HCOO]- 187.083661 149.7
[M+CH3COO]- 201.099311 173.6
[M+Na-2H]- 163.060126 132.7
[M]+ 142.08491142 126.6
[M]- 142.08600858 126.6
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.