CID 15675183

137102-65-9

Structural Information

Molecular Formula
C13H20N2O2
SMILES
CC(C)(C)OC(=O)N[C@@H](CN)C1=CC=CC=C1
InChI
InChI=1S/C13H20N2O2/c1-13(2,3)17-12(16)15-11(9-14)10-7-5-4-6-8-10/h4-8,11H,9,14H2,1-3H3,(H,15,16)/t11-/m0/s1
InChIKey
IJALRZPKODHZOR-NSHDSACASA-N
Compound name
tert-butyl N-[(1R)-2-amino-1-phenylethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

115
Patents

236.15248 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.15976 156.8
[M+Na]+ 259.14170 165.1
[M+NH4]+ 254.18630 163.2
[M+K]+ 275.11564 161.0
[M-H]- 235.14520 157.9
[M+Na-2H]- 257.12715 161.4
[M]+ 236.15193 158.0
[M]- 236.15303 158.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe