CID 3051014

Cyclohexanecarboxylic acid, 1-phenyl-, (3-morpholinopropyl) ester, hydrochloride

Structural Information

Molecular Formula
C20H29NO3
SMILES
C1CCC(CC1)(C2=CC=CC=C2)C(=O)OCCCN3CCOCC3
InChI
InChI=1S/C20H29NO3/c22-19(24-15-7-12-21-13-16-23-17-14-21)20(10-5-2-6-11-20)18-8-3-1-4-9-18/h1,3-4,8-9H,2,5-7,10-17H2
InChIKey
COSPMUOZFSQUOQ-UHFFFAOYSA-N
Compound name
3-morpholin-4-ylpropyl 1-phenylcyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.21475 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.22203 182.9
[M+Na]+ 354.20397 182.8
[M-H]- 330.20747 188.9
[M+NH4]+ 349.24857 194.2
[M+K]+ 370.17791 181.0
[M+H-H2O]+ 314.21201 172.3
[M+HCOO]- 376.21295 195.4
[M+CH3COO]- 390.22860 205.8
[M+Na-2H]- 352.18942 184.5
[M]+ 331.21420 176.8
[M]- 331.21530 176.8
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.