CID 10263004

22373-14-4

Structural Information

Molecular Formula

C₁₂H₁₇NO₃

SMILES

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

InChI

InChI=1S/C12H17NO3/c1-2-11(8-14)13-12(15)16-9-10-6-4-3-5-7-10/h3-7,11,14H,2,8-9H2,1H3,(H,13,15)/t11-/m0/s1

InChIKey

SBWYBQRWDXWJDV-NSHDSACASA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 114
Patents: 223.12085 Da
Monoisotopic Mass: 1.7
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]+	224.128126	151.8
[M+Na]+	246.110068	156.3
[M-H]-	222.113574	153.5
[M+NH4]+	241.154673	168.8
[M+K]+	262.084008	154.7
[M+H-H2O]+	206.118110	145.1
[M+HCOO]-	268.119051	173.8
[M+CH3COO]-	282.134701	188.2
[M+Na-2H]-	244.095516	155.6
[M]+	223.12030142	152.3
[M]-	223.12139858	152.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe