CID 54592498

2-chloro-n-{[3-(methoxymethyl)phenyl]methyl}acetamide

Structural Information

Molecular Formula
C11H14ClNO2
SMILES
COCC1=CC=CC(=C1)CNC(=O)CCl
InChI
InChI=1S/C11H14ClNO2/c1-15-8-10-4-2-3-9(5-10)7-13-11(14)6-12/h2-5H,6-8H2,1H3,(H,13,14)
InChIKey
KDLUQLLJSZKKCN-UHFFFAOYSA-N
Compound name
2-chloro-N-[[3-(methoxymethyl)phenyl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.0713 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.078576 148.8
[M+Na]+ 250.060518 156.3
[M-H]- 226.064024 152.3
[M+NH4]+ 245.105123 167.7
[M+K]+ 266.034458 152.7
[M+H-H2O]+ 210.068560 143.3
[M+HCOO]- 272.069501 168.9
[M+CH3COO]- 286.085151 190.4
[M+Na-2H]- 248.045966 153.8
[M]+ 227.07075142 152.6
[M]- 227.07184858 152.6
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.