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 160.2
[M+Na]+ 274.14137 164.6
[M-H]- 250.14487 164.3
[M+NH4]+ 269.18597 177.4
[M+K]+ 290.11531 164.3
[M+H-H2O]+ 234.14941 152.5
[M+HCOO]- 296.15035 184.5
[M+CH3COO]- 310.16600 200.1
[M+Na-2H]- 272.12682 163.9
[M]+ 251.15160 165.3
[M]- 251.15270 165.3
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