CID 52935473

Schembl23051768

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂

SMILES

C1=CC=C(C=C1)C[C@H](CNC(=O)O)N

InChI

InChI=1S/C10H14N2O2/c11-9(7-12-10(13)14)6-8-4-2-1-3-5-8/h1-5,9,12H,6-7,11H2,(H,13,14)/t9-/m1/s1

InChIKey

LVRBGYZRSDXBKM-SECBINFHSA-N

Compound name

[(2R)-2-amino-3-phenylpropyl]carbamic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 60
References: 98
Patents: 194.10553 Da
Monoisotopic Mass: -1.6
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]+	195.11281	143.4
[M+Na]+	217.09475	147.9
[M-H]-	193.09825	144.8
[M+NH4]+	212.13935	160.9
[M+K]+	233.06869	145.9
[M+H-H2O]+	177.10279	136.8
[M+HCOO]-	239.10373	166.2
[M+CH3COO]-	253.11938	185.3
[M+Na-2H]-	215.08020	147.5
[M]+	194.10498	140.0
[M]-	194.10608	140.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe