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

130
References

123
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

literature stripe

Patent stripe

patents stripe