CID 70700612

10289-05-1

Structural Information

Molecular Formula
C11H15NO3
SMILES
COC(=O)N[C@@H](CC1=CC=CC=C1)CO
InChI
InChI=1S/C11H15NO3/c1-15-11(14)12-10(8-13)7-9-5-3-2-4-6-9/h2-6,10,13H,7-8H2,1H3,(H,12,14)/t10-/m0/s1
InChIKey
CDNYZDRBTKSWPO-JTQLQIEISA-N
Compound name
methyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.1052 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.11248 147.3
[M+Na]+ 232.09442 157.0
[M+NH4]+ 227.13902 154.1
[M+K]+ 248.06836 152.2
[M-H]- 208.09792 148.1
[M+Na-2H]- 230.07987 152.3
[M]+ 209.10465 148.5
[M]- 209.10575 148.5
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

No patent data available for this compound.