CID 44607655

Benzyl n-[(1s)-2-amino-1-phenylethyl]carbamate hydrochloride

Structural Information

Molecular Formula
C16H18N2O2
SMILES
C1=CC=C(C=C1)COC(=O)N[C@H](CN)C2=CC=CC=C2
InChI
InChI=1S/C16H18N2O2/c17-11-15(14-9-5-2-6-10-14)18-16(19)20-12-13-7-3-1-4-8-13/h1-10,15H,11-12,17H2,(H,18,19)/t15-/m1/s1
InChIKey
KJUKXDDEPPBPSY-OAHLLOKOSA-N
Compound name
benzyl N-[(1S)-2-amino-1-phenylethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.13684 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.144116 163.3
[M+Na]+ 293.126058 167.0
[M-H]- 269.129564 168.8
[M+NH4]+ 288.170663 178.0
[M+K]+ 309.099998 163.8
[M+H-H2O]+ 253.134100 154.8
[M+HCOO]- 315.135041 187.1
[M+CH3COO]- 329.150691 201.0
[M+Na-2H]- 291.111506 167.6
[M]+ 270.13629142 161.4
[M]- 270.13738858 161.4
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.