CID 16776027
3-methyl-4-(1h-1,2,3,4-tetrazol-1-yl)aniline
Structural Information
- Molecular Formula
- C8H9N5
- SMILES
- CC1=C(C=CC(=C1)N)N2C=NN=N2
- InChI
- InChI=1S/C8H9N5/c1-6-4-7(9)2-3-8(6)13-5-10-11-12-13/h2-5H,9H2,1H3
- InChIKey
- SSVSIXSYXPJJEB-UHFFFAOYSA-N
- Compound name
- 3-methyl-4-(tetrazol-1-yl)aniline
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 176.09308 | 136.4 |
[M+Na]+ | 198.07502 | 146.7 |
[M-H]- | 174.07852 | 138.2 |
[M+NH4]+ | 193.11962 | 152.6 |
[M+K]+ | 214.04896 | 143.2 |
[M+H-H2O]+ | 158.08306 | 127.0 |
[M+HCOO]- | 220.08400 | 158.6 |
[M+CH3COO]- | 234.09965 | 149.4 |
[M+Na-2H]- | 196.06047 | 143.0 |
[M]+ | 175.08525 | 135.3 |
[M]- | 175.08635 | 135.3 |