CID 16227906

929973-81-9

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 131.2
[M+Na]+ 174.05254 140.5
[M-H]- 150.05604 133.6
[M+NH4]+ 169.09714 149.9
[M+K]+ 190.02648 139.1
[M+H-H2O]+ 134.06058 119.1
[M+HCOO]- 196.06152 150.3
[M+CH3COO]- 210.07717 185.0
[M+Na-2H]- 172.03799 136.6
[M]+ 151.06277 127.2
[M]- 151.06387 127.2
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.