CID 145704
Hexamide
Structural Information
- Molecular Formula
- C13H17NO
- SMILES
- C1CCCN(CC1)C(=O)C2=CC=CC=C2
- InChI
- InChI=1S/C13H17NO/c15-13(12-8-4-3-5-9-12)14-10-6-1-2-7-11-14/h3-5,8-9H,1-2,6-7,10-11H2
- InChIKey
- KZLCCMBSJDXNDG-UHFFFAOYSA-N
- Compound name
- azepan-1-yl(phenyl)methanone
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 204.13829 | 143.4 |
[M+Na]+ | 226.12023 | 145.9 |
[M-H]- | 202.12373 | 148.5 |
[M+NH4]+ | 221.16483 | 159.2 |
[M+K]+ | 242.09417 | 147.6 |
[M+H-H2O]+ | 186.12827 | 136.2 |
[M+HCOO]- | 248.12921 | 161.3 |
[M+CH3COO]- | 262.14486 | 185.7 |
[M+Na-2H]- | 224.10568 | 147.5 |
[M]+ | 203.13046 | 135.5 |
[M]- | 203.13156 | 135.5 |