CID 2733675

66605-57-0

Structural Information

Molecular Formula
C14H21NO3
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)CO
InChI
InChI=1S/C14H21NO3/c1-14(2,3)18-13(17)15-12(10-16)9-11-7-5-4-6-8-11/h4-8,12,16H,9-10H2,1-3H3,(H,15,17)/t12-/m0/s1
InChIKey
LDKDMDVMMCXTMO-LBPRGKRZSA-N
Compound name
tert-butyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

944
Patents

251.15215 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.15943 160.2
[M+Na]+ 274.14137 169.0
[M+NH4]+ 269.18597 166.3
[M+K]+ 290.11531 164.8
[M-H]- 250.14487 160.3
[M+Na-2H]- 272.12682 164.4
[M]+ 251.15160 161.2
[M]- 251.15270 161.2
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