CID 49712

1-phenylcyclopropanecarboxylic acid 2-(diethylamino)ethyl ester hydrochloride

Structural Information

Molecular Formula
C16H23NO2
SMILES
CCN(CC)CCOC(=O)C1(CC1)C2=CC=CC=C2
InChI
InChI=1S/C16H23NO2/c1-3-17(4-2)12-13-19-15(18)16(10-11-16)14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3
InChIKey
TVKWWWWNRZRAFI-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 1-phenylcyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

261.17288 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.18016 162.1
[M+Na]+ 284.16210 168.5
[M-H]- 260.16560 170.3
[M+NH4]+ 279.20670 176.2
[M+K]+ 300.13604 167.2
[M+H-H2O]+ 244.17014 155.2
[M+HCOO]- 306.17108 185.8
[M+CH3COO]- 320.18673 204.4
[M+Na-2H]- 282.14755 166.6
[M]+ 261.17233 168.0
[M]- 261.17343 168.0
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