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]+ 152.070596 131.2
[M+Na]+ 174.052538 140.5
[M-H]- 150.056044 133.6
[M+NH4]+ 169.097143 149.9
[M+K]+ 190.026478 139.1
[M+H-H2O]+ 134.060580 119.1
[M+HCOO]- 196.061521 150.3
[M+CH3COO]- 210.077171 185.0
[M+Na-2H]- 172.037986 136.6
[M]+ 151.06277142 127.2
[M]- 151.06386858 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.