CID 44424

Phenoxyacetic acid 2-(diethylamino)ethyl ester hydrochloride

Structural Information

Molecular Formula
C14H21NO3
SMILES
CCN(CC)CCOC(=O)COC1=CC=CC=C1
InChI
InChI=1S/C14H21NO3/c1-3-15(4-2)10-11-17-14(16)12-18-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3
InChIKey
XCMDZCFKCUCARV-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-phenoxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

251.15215 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.15943 159.5
[M+Na]+ 274.14137 169.7
[M+NH4]+ 269.18597 166.5
[M+K]+ 290.11531 163.6
[M-H]- 250.14487 161.3
[M+Na-2H]- 272.12682 165.0
[M]+ 251.15160 161.2
[M]- 251.15270 161.2
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