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

2
Patents

123.03203 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.039306 123.0
[M+Na]+ 146.021248 133.1
[M-H]- 122.024754 125.7
[M+NH4]+ 141.065853 142.7
[M+K]+ 161.995188 132.2
[M+H-H2O]+ 106.029290 111.2
[M+HCOO]- 168.030231 142.7
[M+CH3COO]- 182.045881 179.6
[M+Na-2H]- 144.006696 129.4
[M]+ 123.03148142 118.3
[M]- 123.03257858 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

patents stripe