CID 4962018

2-chloro-n-(3-methyl-1-phenylbutyl)acetamide

Structural Information

Molecular Formula
C13H18ClNO
SMILES
CC(C)CC(C1=CC=CC=C1)NC(=O)CCl
InChI
InChI=1S/C13H18ClNO/c1-10(2)8-12(15-13(16)9-14)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,15,16)
InChIKey
BREYCRYNLNAGQS-UHFFFAOYSA-N
Compound name
2-chloro-N-(3-methyl-1-phenylbutyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

239.1077 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.11498 156.0
[M+Na]+ 262.09692 161.2
[M-H]- 238.10042 158.9
[M+NH4]+ 257.14152 174.0
[M+K]+ 278.07086 157.5
[M+H-H2O]+ 222.10496 150.3
[M+HCOO]- 284.10590 173.2
[M+CH3COO]- 298.12155 195.0
[M+Na-2H]- 260.08237 158.1
[M]+ 239.10715 157.5
[M]- 239.10825 157.5
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

No patent data available for this compound.