CID 6998013

N-boc-l-phenylalaninal

Structural Information

Molecular Formula
C14H19NO3
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C=O
InChI
InChI=1S/C14H19NO3/c1-14(2,3)18-13(17)15-12(10-16)9-11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3,(H,15,17)/t12-/m0/s1
InChIKey
ZJTYRNPLVNMVPQ-LBPRGKRZSA-N
Compound name
tert-butyl N-[(2S)-1-oxo-3-phenylpropan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

914
Patents

249.13649 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.14377 158.8
[M+Na]+ 272.12571 168.2
[M+NH4]+ 267.17031 165.0
[M+K]+ 288.09965 163.6
[M-H]- 248.12921 159.2
[M+Na-2H]- 270.11116 163.6
[M]+ 249.13594 160.0
[M]- 249.13704 160.0
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