CID 114245

Propionic acid, 3-phenyl-, 2-dimethylaminoethyl ester, hydrochloride

Structural Information

Molecular Formula
C13H19NO2
SMILES
CN(C)CCOC(=O)CCC1=CC=CC=C1
InChI
InChI=1S/C13H19NO2/c1-14(2)10-11-16-13(15)9-8-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3
InChIKey
LXELBKKGSDJSKX-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 3-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

17
Patents

221.14159 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.148866 152.5
[M+Na]+ 244.130808 157.5
[M-H]- 220.134314 156.9
[M+NH4]+ 239.175413 171.1
[M+K]+ 260.104748 156.9
[M+H-H2O]+ 204.138850 145.3
[M+HCOO]- 266.139791 177.0
[M+CH3COO]- 280.155441 195.1
[M+Na-2H]- 242.116256 156.8
[M]+ 221.14104142 155.8
[M]- 221.14213858 155.8
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

patents stripe