CID 46819

Atropic acid, 2-(diethylamino)ethyl ester hydrochloride

Structural Information

Molecular Formula
C15H21NO2
SMILES
CCN(CC)CCOC(=O)C(=C)C1=CC=CC=C1
InChI
InChI=1S/C15H21NO2/c1-4-16(5-2)11-12-18-15(17)13(3)14-9-7-6-8-10-14/h6-10H,3-5,11-12H2,1-2H3
InChIKey
URDLVRRNANUVCI-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.15723 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.16451 160.7
[M+Na]+ 270.14645 164.9
[M-H]- 246.14995 164.8
[M+NH4]+ 265.19105 178.0
[M+K]+ 286.12039 163.6
[M+H-H2O]+ 230.15449 153.3
[M+HCOO]- 292.15543 183.6
[M+CH3COO]- 306.17108 201.1
[M+Na-2H]- 268.13190 162.7
[M]+ 247.15668 163.4
[M]- 247.15778 163.4
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.