CID 54592496

2-chloro-n-[cyclopentyl(phenyl)methyl]acetamide

Structural Information

Molecular Formula
C14H18ClNO
SMILES
C1CCC(C1)C(C2=CC=CC=C2)NC(=O)CCl
InChI
InChI=1S/C14H18ClNO/c15-10-13(17)16-14(12-8-4-5-9-12)11-6-2-1-3-7-11/h1-3,6-7,12,14H,4-5,8-10H2,(H,16,17)
InChIKey
ZBPDWWZMWVJDOX-UHFFFAOYSA-N
Compound name
2-chloro-N-[cyclopentyl(phenyl)methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.1077 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.11498 160.4
[M+Na]+ 274.09692 164.5
[M-H]- 250.10042 165.8
[M+NH4]+ 269.14152 179.1
[M+K]+ 290.07086 160.0
[M+H-H2O]+ 234.10496 153.8
[M+HCOO]- 296.10590 177.4
[M+CH3COO]- 310.12155 193.4
[M+Na-2H]- 272.08237 161.1
[M]+ 251.10715 158.1
[M]- 251.10825 158.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.