CID 4868340

2-chloro-n-[(4-methoxyphenyl)methyl]-n-methylacetamide

Structural Information

Molecular Formula
C11H14ClNO2
SMILES
CN(CC1=CC=C(C=C1)OC)C(=O)CCl
InChI
InChI=1S/C11H14ClNO2/c1-13(11(14)7-12)8-9-3-5-10(15-2)6-4-9/h3-6H,7-8H2,1-2H3
InChIKey
RLSMTAIXCJTUHH-UHFFFAOYSA-N
Compound name
2-chloro-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

227.0713 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.07858 148.5
[M+Na]+ 250.06052 156.1
[M-H]- 226.06402 153.5
[M+NH4]+ 245.10512 168.0
[M+K]+ 266.03446 154.0
[M+H-H2O]+ 210.06856 142.9
[M+HCOO]- 272.06950 169.1
[M+CH3COO]- 286.08515 193.9
[M+Na-2H]- 248.04597 152.8
[M]+ 227.07075 153.6
[M]- 227.07185 153.6
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.