CID 45072682

Benzyl n-[(2s)-2-aminopropyl]carbamate

Structural Information

Molecular Formula
C11H16N2O2
SMILES
C[C@@H](CNC(=O)OCC1=CC=CC=C1)N
InChI
InChI=1S/C11H16N2O2/c1-9(12)7-13-11(14)15-8-10-5-3-2-4-6-10/h2-6,9H,7-8,12H2,1H3,(H,13,14)/t9-/m0/s1
InChIKey
HVQKTRVTQIMUEL-VIFPVBQESA-N
Compound name
benzyl N-[(2S)-2-aminopropyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

208.12119 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.128466 148.0
[M+Na]+ 231.110408 152.6
[M-H]- 207.113914 150.7
[M+NH4]+ 226.155013 165.8
[M+K]+ 247.084348 151.2
[M+H-H2O]+ 191.118450 141.0
[M+HCOO]- 253.119391 172.0
[M+CH3COO]- 267.135041 190.1
[M+Na-2H]- 229.095856 152.1
[M]+ 208.12064142 146.8
[M]- 208.12173858 146.8
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

patents stripe