CID 43156233

3-(chloromethyl)-n-(2-methylpropyl)benzamide

Structural Information

Molecular Formula
C12H16ClNO
SMILES
CC(C)CNC(=O)C1=CC=CC(=C1)CCl
InChI
InChI=1S/C12H16ClNO/c1-9(2)8-14-12(15)11-5-3-4-10(6-11)7-13/h3-6,9H,7-8H2,1-2H3,(H,14,15)
InChIKey
YLKAEJMGOUINRS-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-N-(2-methylpropyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.09204 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.09932 150.8
[M+Na]+ 248.08126 157.6
[M-H]- 224.08476 154.1
[M+NH4]+ 243.12586 169.7
[M+K]+ 264.05520 153.7
[M+H-H2O]+ 208.08930 145.4
[M+HCOO]- 270.09024 169.3
[M+CH3COO]- 284.10589 192.3
[M+Na-2H]- 246.06671 154.0
[M]+ 225.09149 152.9
[M]- 225.09259 152.9
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.