CID 55264895

(2s)-2-(furan-3-yl)-2-hydroxyacetonitrile

Structural Information

Molecular Formula
C6H5NO2
SMILES
C1=COC=C1[C@@H](C#N)O
InChI
InChI=1S/C6H5NO2/c7-3-6(8)5-1-2-9-4-5/h1-2,4,6,8H/t6-/m1/s1
InChIKey
KQROQTWESIOQFM-ZCFIWIBFSA-N
Compound name
(2S)-2-(furan-3-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]+ 124.039306 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

No patent data available for this compound.