CID 16227906

2-(furan-2-ylmethyl)-3-hydroxypropanenitrile

Structural Information

Molecular Formula
C8H9NO2
SMILES
C1=COC(=C1)CC(CO)C#N
InChI
InChI=1S/C8H9NO2/c9-5-7(6-10)4-8-2-1-3-11-8/h1-3,7,10H,4,6H2
InChIKey
JXCHQORAJGXTOX-UHFFFAOYSA-N
Compound name
2-(furan-2-ylmethyl)-3-hydroxypropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

151.06332 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.07060 132.3
[M+Na]+ 174.05254 142.4
[M+NH4]+ 169.09714 136.8
[M+K]+ 190.02648 136.2
[M-H]- 150.05604 126.7
[M+Na-2H]- 172.03799 134.5
[M]+ 151.06277 131.2
[M]- 151.06387 131.2
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.