CID 12581307

1-methyl-3-phenyl-1h-1,2,4-triazol-5-amine

Structural Information

Molecular Formula
C9H10N4
SMILES
CN1C(=NC(=N1)C2=CC=CC=C2)N
InChI
InChI=1S/C9H10N4/c1-13-9(10)11-8(12-13)7-5-3-2-4-6-7/h2-6H,1H3,(H2,10,11,12)
InChIKey
HRLKLZWPSVFXAC-UHFFFAOYSA-N
Compound name
2-methyl-5-phenyl-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

174.09055 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.09783 136.0
[M+Na]+ 197.07977 145.9
[M-H]- 173.08327 139.1
[M+NH4]+ 192.12437 153.7
[M+K]+ 213.05371 142.4
[M+H-H2O]+ 157.08781 127.3
[M+HCOO]- 219.08875 159.3
[M+CH3COO]- 233.10440 149.4
[M+Na-2H]- 195.06522 142.1
[M]+ 174.09000 134.8
[M]- 174.09110 134.8
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