CID 454100
13(2tetrazol)tridec acid
Structural Information
- Molecular Formula
- C14H26N4O2
- SMILES
- C1=NN(N=N1)CCCCCCCCCCCCC(=O)O
- InChI
- InChI=1S/C14H26N4O2/c19-14(20)11-9-7-5-3-1-2-4-6-8-10-12-18-16-13-15-17-18/h13H,1-12H2,(H,19,20)
- InChIKey
- OKNIAIJEKWEQDL-UHFFFAOYSA-N
- Compound name
- 13-(tetrazol-2-yl)tridecanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 283.21285 | 170.3 |
[M+Na]+ | 305.19479 | 174.9 |
[M-H]- | 281.19829 | 165.8 |
[M+NH4]+ | 300.23939 | 181.6 |
[M+K]+ | 321.16873 | 171.7 |
[M+H-H2O]+ | 265.20283 | 160.1 |
[M+HCOO]- | 327.20377 | 186.8 |
[M+CH3COO]- | 341.21942 | 198.7 |
[M+Na-2H]- | 303.18024 | 171.7 |
[M]+ | 282.20502 | 174.3 |
[M]- | 282.20612 | 174.3 |