CID 83060087

Phenyl n-[(2r)-2-hydroxypropyl]carbamate

Structural Information

Molecular Formula
C10H13NO3
SMILES
C[C@H](CNC(=O)OC1=CC=CC=C1)O
InChI
InChI=1S/C10H13NO3/c1-8(12)7-11-10(13)14-9-5-3-2-4-6-9/h2-6,8,12H,7H2,1H3,(H,11,13)/t8-/m1/s1
InChIKey
XOQRDAAKCOAWDY-MRVPVSSYSA-N
Compound name
phenyl N-[(2R)-2-hydroxypropyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.08954 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.09682 142.5
[M+Na]+ 218.07876 148.0
[M-H]- 194.08226 144.6
[M+NH4]+ 213.12336 160.7
[M+K]+ 234.05270 146.8
[M+H-H2O]+ 178.08680 136.2
[M+HCOO]- 240.08774 165.2
[M+CH3COO]- 254.10339 182.2
[M+Na-2H]- 216.06421 147.4
[M]+ 195.08899 142.3
[M]- 195.09009 142.3
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.