CID 8005210
5-(phenoxymethyl)-2h-1,2,3,4-tetrazole
Structural Information
- Molecular Formula
- C8H8N4O
- SMILES
- C1=CC=C(C=C1)OCC2=NNN=N2
- InChI
- InChI=1S/C8H8N4O/c1-2-4-7(5-3-1)13-6-8-9-11-12-10-8/h1-5H,6H2,(H,9,10,11,12)
- InChIKey
- OKACIACGQZSZRA-UHFFFAOYSA-N
- Compound name
- 5-(phenoxymethyl)-2H-tetrazole
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 177.07709 | 136.0 |
[M+Na]+ | 199.05903 | 149.1 |
[M+NH4]+ | 194.10363 | 143.0 |
[M+K]+ | 215.03297 | 145.0 |
[M-H]- | 175.06253 | 136.8 |
[M+Na-2H]- | 197.04448 | 144.5 |
[M]+ | 176.06926 | 137.9 |
[M]- | 176.07036 | 137.9 |