CID 605283

5-(2-methoxyphenyl)-4h-1,2,4-triazol-3-amine

Structural Information

Molecular Formula
C9H10N4O
SMILES
COC1=CC=CC=C1C2=NC(=NN2)N
InChI
InChI=1S/C9H10N4O/c1-14-7-5-3-2-4-6(7)8-11-9(10)13-12-8/h2-5H,1H3,(H3,10,11,12,13)
InChIKey
VPYFFIZLDRLOFQ-UHFFFAOYSA-N
Compound name
5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

11
Patents

190.08546 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.09274 139.3
[M+Na]+ 213.07468 148.6
[M-H]- 189.07818 141.1
[M+NH4]+ 208.11928 155.6
[M+K]+ 229.04862 144.8
[M+H-H2O]+ 173.08272 130.8
[M+HCOO]- 235.08366 161.4
[M+CH3COO]- 249.09931 151.9
[M+Na-2H]- 211.06013 145.1
[M]+ 190.08491 137.7
[M]- 190.08601 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

literature stripe

Patent stripe

patents stripe