CID 10262499

66674-16-6

Structural Information

Molecular Formula

C₁₁H₁₅NO₃

SMILES

C[C@@H](CO)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C11H15NO3/c1-9(7-13)12-11(14)15-8-10-5-3-2-4-6-10/h2-6,9,13H,7-8H2,1H3,(H,12,14)/t9-/m0/s1

InChIKey

AFPHMHSLDRPUSM-VIFPVBQESA-N

Compound name

benzyl N-[(2S)-1-hydroxypropan-2-yl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 263
Patents: 209.1052 Da
Monoisotopic Mass: 1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe