CID 45154

Phenoxyacetic acid 2-(dimethylamino)ethyl ester hydrochloride

Structural Information

Molecular Formula
C12H17NO3
SMILES
CN(C)CCOC(=O)COC1=CC=CC=C1
InChI
InChI=1S/C12H17NO3/c1-13(2)8-9-15-12(14)10-16-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3
InChIKey
GUYHLLFEBWSWPC-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 2-phenoxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

223.12085 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.12813 150.8
[M+Na]+ 246.11007 156.1
[M-H]- 222.11357 155.3
[M+NH4]+ 241.15467 169.2
[M+K]+ 262.08401 156.3
[M+H-H2O]+ 206.11811 143.5
[M+HCOO]- 268.11905 175.8
[M+CH3COO]- 282.13470 194.1
[M+Na-2H]- 244.09552 155.6
[M]+ 223.12030 155.2
[M]- 223.12140 155.2
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