CID 6494330

386264-51-3

Structural Information

Molecular Formula
C11H11N3O3
SMILES
CC1=C(N=NN1C2=CC(=CC=C2)OC)C(=O)O
InChI
InChI=1S/C11H11N3O3/c1-7-10(11(15)16)12-13-14(7)8-4-3-5-9(6-8)17-2/h3-6H,1-2H3,(H,15,16)
InChIKey
GMCAEMVOKZCERW-UHFFFAOYSA-N
Compound name
1-(3-methoxyphenyl)-5-methyltriazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

233.08005 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.08733 150.9
[M+Na]+ 256.06927 163.5
[M+NH4]+ 251.11387 156.6
[M+K]+ 272.04321 160.8
[M-H]- 232.07277 151.2
[M+Na-2H]- 254.05472 156.9
[M]+ 233.07950 152.5
[M]- 233.08060 152.5
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

patents stripe