CID 4092607
N-(4-chlorobenzyl)hexanamide
Structural Information
- Molecular Formula
- C13H18ClNO
- SMILES
- CCCCCC(=O)NCC1=CC=C(C=C1)Cl
- InChI
- InChI=1S/C13H18ClNO/c1-2-3-4-5-13(16)15-10-11-6-8-12(14)9-7-11/h6-9H,2-5,10H2,1H3,(H,15,16)
- InChIKey
- FGHCZRALODBTOD-UHFFFAOYSA-N
- Compound name
- N-[(4-chlorophenyl)methyl]hexanamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 240.11498 | 155.4 |
[M+Na]+ | 262.09692 | 162.0 |
[M-H]- | 238.10042 | 158.4 |
[M+NH4]+ | 257.14152 | 173.8 |
[M+K]+ | 278.07086 | 157.4 |
[M+H-H2O]+ | 222.10496 | 149.7 |
[M+HCOO]- | 284.10590 | 174.5 |
[M+CH3COO]- | 298.12155 | 194.5 |
[M+Na-2H]- | 260.08237 | 159.2 |
[M]+ | 239.10715 | 158.4 |
[M]- | 239.10825 | 158.4 |