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]+ 240.114976 156.0
[M+Na]+ 262.096918 161.2
[M-H]- 238.100424 158.9
[M+NH4]+ 257.141523 174.0
[M+K]+ 278.070858 157.5
[M+H-H2O]+ 222.104960 150.3
[M+HCOO]- 284.105901 173.2
[M+CH3COO]- 298.121551 195.0
[M+Na-2H]- 260.082366 158.1
[M]+ 239.10715142 157.5
[M]- 239.10824858 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.