CID 24840371

2-morpholinol, 2-phenyl-3,5,5-trimethyl-, hydrochloride, cis-

Structural Information

Molecular Formula
C13H19NO2
SMILES
C[C@@H]1[C@](OCC(N1)(C)C)(C2=CC=CC=C2)O
InChI
InChI=1S/C13H19NO2/c1-10-13(15,11-7-5-4-6-8-11)16-9-12(2,3)14-10/h4-8,10,14-15H,9H2,1-3H3/t10-,13+/m1/s1
InChIKey
NGHJSSNVKXEBAB-MFKMUULPSA-N
Compound name
(2R,3R)-3,5,5-trimethyl-2-phenylmorpholin-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

221.14159 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.14887 150.6
[M+Na]+ 244.13081 157.7
[M-H]- 220.13431 154.0
[M+NH4]+ 239.17541 169.0
[M+K]+ 260.10475 155.5
[M+H-H2O]+ 204.13885 144.4
[M+HCOO]- 266.13979 166.3
[M+CH3COO]- 280.15544 183.2
[M+Na-2H]- 242.11626 157.0
[M]+ 221.14104 147.0
[M]- 221.14214 147.0
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