CID 10975479

121986-08-1

Structural Information

Molecular Formula
C6H5NO2
SMILES
C1=COC(=C1)[C@@H](C#N)O
InChI
InChI=1S/C6H5NO2/c7-4-5(8)6-2-1-3-9-6/h1-3,5,8H/t5-/m1/s1
InChIKey
OWECZOWCEFVROP-RXMQYKEDSA-N
Compound name
(2R)-2-(furan-2-yl)-2-hydroxyacetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

123.03203 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.03931 123.0
[M+Na]+ 146.02125 133.1
[M-H]- 122.02475 125.7
[M+NH4]+ 141.06585 142.7
[M+K]+ 161.99519 132.2
[M+H-H2O]+ 106.02929 111.2
[M+HCOO]- 168.03023 142.7
[M+CH3COO]- 182.04588 179.6
[M+Na-2H]- 144.00670 129.4
[M]+ 123.03148 118.3
[M]- 123.03258 118.3
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

No patent data available for this compound.