CID 201858

4-morpholinepropanol, beta-phenyl-, hydrochloride

Structural Information

Molecular Formula
C13H19NO2
SMILES
C1COCCN1CC(CO)C2=CC=CC=C2
InChI
InChI=1S/C13H19NO2/c15-11-13(12-4-2-1-3-5-12)10-14-6-8-16-9-7-14/h1-5,13,15H,6-11H2
InChIKey
CGDXJOZGEGAUDL-UHFFFAOYSA-N
Compound name
3-morpholin-4-yl-2-phenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

221.14159 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.148866 151.7
[M+Na]+ 244.130808 154.9
[M-H]- 220.134314 154.8
[M+NH4]+ 239.175413 165.8
[M+K]+ 260.104748 153.3
[M+H-H2O]+ 204.138850 143.5
[M+HCOO]- 266.139791 167.7
[M+CH3COO]- 280.155441 185.0
[M+Na-2H]- 242.116256 156.4
[M]+ 221.14104142 147.5
[M]- 221.14213858 147.5
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

patents stripe