CID 53637716

167298-44-4

Structural Information

Molecular Formula
C14H22N2O2
SMILES
CC(C)(C)OC(=O)NC[C@H](CC1=CC=CC=C1)N
InChI
InChI=1S/C14H22N2O2/c1-14(2,3)18-13(17)16-10-12(15)9-11-7-5-4-6-8-11/h4-8,12H,9-10,15H2,1-3H3,(H,16,17)/t12-/m0/s1
InChIKey
ADVSLLRGGNVROC-LBPRGKRZSA-N
Compound name
tert-butyl N-[(2S)-2-amino-3-phenylpropyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

250.16812 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.17540 161.6
[M+Na]+ 273.15734 165.4
[M-H]- 249.16084 164.1
[M+NH4]+ 268.20194 177.8
[M+K]+ 289.13128 163.9
[M+H-H2O]+ 233.16538 154.7
[M+HCOO]- 295.16632 183.0
[M+CH3COO]- 309.18197 198.9
[M+Na-2H]- 271.14279 164.9
[M]+ 250.16757 160.9
[M]- 250.16867 160.9
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