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]+ 143.09274 128.7
[M+Na]+ 165.07468 138.4
[M-H]- 141.07818 127.5
[M+NH4]+ 160.11928 147.2
[M+K]+ 181.04862 136.4
[M+H-H2O]+ 125.08272 121.6
[M+HCOO]- 187.08366 149.7
[M+CH3COO]- 201.09931 173.6
[M+Na-2H]- 163.06013 132.7
[M]+ 142.08491 126.6
[M]- 142.08601 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.