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]+ 210.112476 144.5
[M+Na]+ 232.094418 150.3
[M-H]- 208.097924 149.1
[M+NH4]+ 227.139023 162.0
[M+K]+ 248.068358 148.3
[M+H-H2O]+ 192.102460 138.4
[M+HCOO]- 254.103401 165.5
[M+CH3COO]- 268.119051 181.9
[M+Na-2H]- 230.079866 148.8
[M]+ 209.10465142 141.7
[M]- 209.10574858 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.