CID 6494329
210159-13-0
Structural Information
- Molecular Formula
- C11H11N3O3
- SMILES
- CC1=C(N=NN1C2=CC=CC=C2OC)C(=O)O
- InChI
- InChI=1S/C11H11N3O3/c1-7-10(11(15)16)12-13-14(7)8-5-3-4-6-9(8)17-2/h3-6H,1-2H3,(H,15,16)
- InChIKey
- XDIJXIDIHIYINO-UHFFFAOYSA-N
- Compound name
- 1-(2-methoxyphenyl)-5-methyltriazole-4-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 234.08733 | 149.4 |
[M+Na]+ | 256.06927 | 159.3 |
[M-H]- | 232.07277 | 151.9 |
[M+NH4]+ | 251.11387 | 164.5 |
[M+K]+ | 272.04321 | 156.5 |
[M+H-H2O]+ | 216.07731 | 141.0 |
[M+HCOO]- | 278.07825 | 169.9 |
[M+CH3COO]- | 292.09390 | 188.3 |
[M+Na-2H]- | 254.05472 | 152.7 |
[M]+ | 233.07950 | 152.0 |
[M]- | 233.08060 | 152.0 |
Literature stripe
No literature data available for this compound.