CID 3039312

Brn 0746287

Structural Information

Molecular Formula
C10H11N3O
SMILES
CN1C(=NN=C1OC)C2=CC=CC=C2
InChI
InChI=1S/C10H11N3O/c1-13-9(11-12-10(13)14-2)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKey
VFHOMXHQQGIGEN-UHFFFAOYSA-N
Compound name
3-methoxy-4-methyl-5-phenyl-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

189.09021 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.09749 139.3
[M+Na]+ 212.07943 149.5
[M-H]- 188.08293 142.7
[M+NH4]+ 207.12403 156.9
[M+K]+ 228.05337 146.8
[M+H-H2O]+ 172.08747 130.6
[M+HCOO]- 234.08841 162.0
[M+CH3COO]- 248.10406 182.4
[M+Na-2H]- 210.06488 145.4
[M]+ 189.08966 141.5
[M]- 189.09076 141.5
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