CID 45072682

(s)-benzyl 2-aminopropylcarbamate

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]+ 209.12847 148.1
[M+Na]+ 231.11041 157.2
[M+NH4]+ 226.15501 155.1
[M+K]+ 247.08435 152.2
[M-H]- 207.11391 150.0
[M+Na-2H]- 229.09586 153.4
[M]+ 208.12064 149.5
[M]- 208.12174 149.5
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