CID 100614759

4-(3-amino-2-methylphenyl)-4,5-dihydro-1h-1,2,4-triazol-5-one

Structural Information

Molecular Formula
C9H10N4O
SMILES
CC1=C(C=CC=C1N2C=NNC2=O)N
InChI
InChI=1S/C9H10N4O/c1-6-7(10)3-2-4-8(6)13-5-11-12-9(13)14/h2-5H,10H2,1H3,(H,12,14)
InChIKey
WZYLURLPAXETHY-UHFFFAOYSA-N
Compound name
4-(3-amino-2-methylphenyl)-1H-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

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.092736 139.6
[M+Na]+ 213.074678 150.2
[M-H]- 189.078184 141.8
[M+NH4]+ 208.119283 156.2
[M+K]+ 229.048618 145.7
[M+H-H2O]+ 173.082720 131.4
[M+HCOO]- 235.083661 161.8
[M+CH3COO]- 249.099311 152.5
[M+Na-2H]- 211.060126 144.5
[M]+ 190.08491142 137.7
[M]- 190.08600858 137.7
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.