CID 126402

Pre-084

Structural Information

Molecular Formula
C19H27NO3
SMILES
C1CCC(CC1)(C2=CC=CC=C2)C(=O)OCCN3CCOCC3
InChI
InChI=1S/C19H27NO3/c21-18(23-16-13-20-11-14-22-15-12-20)19(9-5-2-6-10-19)17-7-3-1-4-8-17/h1,3-4,7-8H,2,5-6,9-16H2
InChIKey
RQHKZUBCUZVZEF-UHFFFAOYSA-N
Compound name
2-morpholin-4-ylethyl 1-phenylcyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

127
References

216
Patents

317.1991 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.20638 178.5
[M+Na]+ 340.18832 178.9
[M-H]- 316.19182 184.7
[M+NH4]+ 335.23292 190.4
[M+K]+ 356.16226 177.3
[M+H-H2O]+ 300.19636 168.2
[M+HCOO]- 362.19730 191.4
[M+CH3COO]- 376.21295 202.8
[M+Na-2H]- 338.17377 180.6
[M]+ 317.19855 172.1
[M]- 317.19965 172.1
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.