CID 781002

54464-14-1

Structural Information

Molecular Formula
C9H10N4O
SMILES
COC1=CC=C(C=C1)C2=NC(=NN2)N
InChI
InChI=1S/C9H10N4O/c1-14-7-4-2-6(3-5-7)8-11-9(10)13-12-8/h2-5H,1H3,(H3,10,11,12,13)
InChIKey
BKEAHUXWMIWWCP-UHFFFAOYSA-N
Compound name
5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

26
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 139.8
[M+Na]+ 213.07468 152.2
[M+NH4]+ 208.11928 146.8
[M+K]+ 229.04862 148.7
[M-H]- 189.07818 141.7
[M+Na-2H]- 211.06013 147.3
[M]+ 190.08491 141.8
[M]- 190.08601 141.8
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