CID 43132160

2-chloro-n-[1-(2-methoxyphenyl)ethyl]propanamide

Structural Information

Molecular Formula
C12H16ClNO2
SMILES
CC(C1=CC=CC=C1OC)NC(=O)C(C)Cl
InChI
InChI=1S/C12H16ClNO2/c1-8(13)12(15)14-9(2)10-6-4-5-7-11(10)16-3/h4-9H,1-3H3,(H,14,15)
InChIKey
NTCAEUMLAVILFR-UHFFFAOYSA-N
Compound name
2-chloro-N-[1-(2-methoxyphenyl)ethyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.08696 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.09424 153.4
[M+Na]+ 264.07618 160.0
[M-H]- 240.07968 156.9
[M+NH4]+ 259.12078 171.6
[M+K]+ 280.05012 157.1
[M+H-H2O]+ 224.08422 148.1
[M+HCOO]- 286.08516 171.2
[M+CH3COO]- 300.10081 195.2
[M+Na-2H]- 262.06163 155.5
[M]+ 241.08641 156.4
[M]- 241.08751 156.4
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.