CID 68819

Fepradinol

Structural Information

Molecular Formula
C12H19NO2
SMILES
CC(C)(CO)NCC(C1=CC=CC=C1)O
InChI
InChI=1S/C12H19NO2/c1-12(2,9-14)13-8-11(15)10-6-4-3-5-7-10/h3-7,11,13-15H,8-9H2,1-2H3
InChIKey
PVOOBRUZWPQOER-UHFFFAOYSA-N
Compound name
2-[(2-hydroxy-2-phenylethyl)amino]-2-methylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

14
References

2839
Patents

209.14159 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.14887 149.3
[M+Na]+ 232.13081 158.6
[M+NH4]+ 227.17541 156.3
[M+K]+ 248.10475 153.9
[M-H]- 208.13431 149.9
[M+Na-2H]- 230.11626 154.3
[M]+ 209.14104 150.6
[M]- 209.14214 150.6
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