CID 136041664

1251202-80-8

Structural Information

Molecular Formula
C9H10N4O
SMILES
CNC1=CC=CC=C1C2=NNC(=O)N2
InChI
InChI=1S/C9H10N4O/c1-10-7-5-3-2-4-6(7)8-11-9(14)13-12-8/h2-5,10H,1H3,(H2,11,12,13,14)
InChIKey
TUGBCJDRHHUDSD-UHFFFAOYSA-N
Compound name
3-[2-(methylamino)phenyl]-1,4-dihydro-1,2,4-triazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.08546 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.092736 139.2
[M+Na]+ 213.074678 148.4
[M-H]- 189.078184 140.1
[M+NH4]+ 208.119283 155.0
[M+K]+ 229.048618 143.4
[M+H-H2O]+ 173.082720 130.9
[M+HCOO]- 235.083661 160.5
[M+CH3COO]- 249.099311 151.3
[M+Na-2H]- 211.060126 145.4
[M]+ 190.08491142 136.0
[M]- 190.08600858 136.0
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.