CID 57068544

2470279-08-2

Structural Information

Molecular Formula
C13H18N2O5
SMILES
CC(C)(C)OC(=O)N[C@@H](CO)C1=CC(=CC=C1)[N+](=O)[O-]
InChI
InChI=1S/C13H18N2O5/c1-13(2,3)20-12(17)14-11(8-16)9-5-4-6-10(7-9)15(18)19/h4-7,11,16H,8H2,1-3H3,(H,14,17)/t11-/m0/s1
InChIKey
WDMXBGHVKOMHAT-NSHDSACASA-N
Compound name
tert-butyl N-[(1R)-2-hydroxy-1-(3-nitrophenyl)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

282.12158 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.12886 161.2
[M+Na]+ 305.11080 170.1
[M+NH4]+ 300.15540 166.2
[M+K]+ 321.08474 170.0
[M-H]- 281.11430 161.7
[M+Na-2H]- 303.09625 164.4
[M]+ 282.12103 162.1
[M]- 282.12213 162.1
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