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

compound 2d structure
1
Annotation Hits

0
References

17
Patents

239.1077 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.114976 155.4
[M+Na]+ 262.096918 162.0
[M-H]- 238.100424 158.4
[M+NH4]+ 257.141523 173.8
[M+K]+ 278.070858 157.4
[M+H-H2O]+ 222.104960 149.7
[M+HCOO]- 284.105901 174.5
[M+CH3COO]- 298.121551 194.5
[M+Na-2H]- 260.082366 159.2
[M]+ 239.10715142 158.4
[M]- 239.10824858 158.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe