CID 3051356

67428-90-4

Structural Information

Molecular Formula
C12H16ClNO2
SMILES
CC(=O)OC(CN(C)C)C1=CC=C(C=C1)Cl
InChI
InChI=1S/C12H16ClNO2/c1-9(15)16-12(8-14(2)3)10-4-6-11(13)7-5-10/h4-7,12H,8H2,1-3H3
InChIKey
VYWOETMEDKILLC-UHFFFAOYSA-N
Compound name
[1-(4-chlorophenyl)-2-(dimethylamino)ethyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.08696 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.09424 153.0
[M+Na]+ 264.07618 160.0
[M-H]- 240.07968 157.9
[M+NH4]+ 259.12078 171.9
[M+K]+ 280.05012 158.0
[M+H-H2O]+ 224.08422 147.3
[M+HCOO]- 286.08516 172.3
[M+CH3COO]- 300.10081 197.8
[M+Na-2H]- 262.06163 155.5
[M]+ 241.08641 157.9
[M]- 241.08751 157.9
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.