CID 165746478

1391518-87-8

Structural Information

Molecular Formula
C15H23NO4
SMILES
CC(C)(C)OC(=O)N[C@@H](COC)[C@H](C1=CC=CC=C1)O
InChI
InChI=1S/C15H23NO4/c1-15(2,3)20-14(18)16-12(10-19-4)13(17)11-8-6-5-7-9-11/h5-9,12-13,17H,10H2,1-4H3,(H,16,18)/t12-,13-/m0/s1
InChIKey
NAEFAJMJILKBIK-STQMWFEESA-N
Compound name
tert-butyl N-[(1S,2S)-1-hydroxy-3-methoxy-1-phenylpropan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.16272 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.17000 167.8
[M+Na]+ 304.15194 171.2
[M-H]- 280.15544 169.4
[M+NH4]+ 299.19654 182.5
[M+K]+ 320.12588 170.7
[M+H-H2O]+ 264.15998 161.2
[M+HCOO]- 326.16092 186.5
[M+CH3COO]- 340.17657 200.0
[M+Na-2H]- 302.13739 169.9
[M]+ 281.16217 169.7
[M]- 281.16327 169.7
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

No patent data available for this compound.