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]+ 306.20638 171.2
[M+Na]+ 328.18832 175.9
[M-H]- 304.19182 177.5
[M+NH4]+ 323.23292 180.9
[M+K]+ 344.16226 173.1
[M+H-H2O]+ 288.19636 163.7
[M+HCOO]- 350.19730 191.8
[M+CH3COO]- 364.21295 210.4
[M+Na-2H]- 326.17377 174.2
[M]+ 305.19855 176.6
[M]- 305.19965 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.