CID 13990027

104578-89-4

Structural Information

Molecular Formula
C11H15NO3
SMILES
C1[C@H]([C@@H](OC1NC2=CC=CC=C2)CO)O
InChI
InChI=1S/C11H15NO3/c13-7-10-9(14)6-11(15-10)12-8-4-2-1-3-5-8/h1-5,9-14H,6-7H2/t9-,10+,11?/m1/s1
InChIKey
OYCBOKNPGJKONC-JKIOLJMWSA-N
Compound name
(2S,3R)-5-anilino-2-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.1052 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.11248 144.5
[M+Na]+ 232.09442 150.3
[M-H]- 208.09792 149.1
[M+NH4]+ 227.13902 162.0
[M+K]+ 248.06836 148.3
[M+H-H2O]+ 192.10246 138.4
[M+HCOO]- 254.10340 165.5
[M+CH3COO]- 268.11905 181.9
[M+Na-2H]- 230.07987 148.8
[M]+ 209.10465 141.7
[M]- 209.10575 141.7
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.