CID 42926972

2-chloro-n-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide

Structural Information

Molecular Formula
C13H18ClNO2
SMILES
CC(C)C(C1=CC=C(C=C1)OC)NC(=O)CCl
InChI
InChI=1S/C13H18ClNO2/c1-9(2)13(15-12(16)8-14)10-4-6-11(17-3)7-5-10/h4-7,9,13H,8H2,1-3H3,(H,15,16)
InChIKey
JNLOFGIIULWZQS-UHFFFAOYSA-N
Compound name
2-chloro-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.1026 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.109876 158.1
[M+Na]+ 278.091818 164.3
[M-H]- 254.095324 161.4
[M+NH4]+ 273.136423 175.8
[M+K]+ 294.065758 161.2
[M+H-H2O]+ 238.099860 152.6
[M+HCOO]- 300.100801 175.6
[M+CH3COO]- 314.116451 198.2
[M+Na-2H]- 276.077266 159.6
[M]+ 255.10205142 161.5
[M]- 255.10314858 161.5
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.