CID 9816137

67341-07-5

Structural Information

Molecular Formula
C13H19NO3
SMILES
CC(C)(C)OC(=O)NCC(C1=CC=CC=C1)O
InChI
InChI=1S/C13H19NO3/c1-13(2,3)17-12(16)14-9-11(15)10-7-5-4-6-8-10/h4-8,11,15H,9H2,1-3H3,(H,14,16)
InChIKey
FSRZPRRAZVZKFE-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-hydroxy-2-phenylethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

200
Patents

237.13649 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.14377 155.8
[M+Na]+ 260.12571 164.7
[M+NH4]+ 255.17031 162.0
[M+K]+ 276.09965 160.8
[M-H]- 236.12921 155.9
[M+Na-2H]- 258.11116 160.2
[M]+ 237.13594 156.8
[M]- 237.13704 156.8
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