CID 59489

102571-14-2

Structural Information

Molecular Formula
C18H27NO3
SMILES
CCN(CC)CCOC(=O)C(CC1=CC=CC=C1)(C2CC2)O
InChI
InChI=1S/C18H27NO3/c1-3-19(4-2)12-13-22-17(20)18(21,16-10-11-16)14-15-8-6-5-7-9-15/h5-9,16,21H,3-4,10-14H2,1-2H3
InChIKey
PQTAVXNCLQMLJA-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-cyclopropyl-2-hydroxy-3-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.1991 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.206376 171.2
[M+Na]+ 328.188318 175.9
[M-H]- 304.191824 177.5
[M+NH4]+ 323.232923 180.9
[M+K]+ 344.162258 173.1
[M+H-H2O]+ 288.196360 163.7
[M+HCOO]- 350.197301 191.8
[M+CH3COO]- 364.212951 210.4
[M+Na-2H]- 326.173766 174.2
[M]+ 305.19855142 176.6
[M]- 305.19964858 176.6
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.