CID 3016387

3-(furfuryloxy)propiononitrile

Structural Information

Molecular Formula
C8H9NO2
SMILES
C1=COC(=C1)COCCC#N
InChI
InChI=1S/C8H9NO2/c9-4-2-5-10-7-8-3-1-6-11-8/h1,3,6H,2,5,7H2
InChIKey
CPCXJCALJSWDQW-UHFFFAOYSA-N
Compound name
3-(furan-2-ylmethoxy)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

151.06332 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.070596 127.7
[M+Na]+ 174.052538 137.8
[M-H]- 150.056044 131.3
[M+NH4]+ 169.097143 147.2
[M+K]+ 190.026478 136.8
[M+H-H2O]+ 134.060580 115.5
[M+HCOO]- 196.061521 149.2
[M+CH3COO]- 210.077171 186.7
[M+Na-2H]- 172.037986 135.0
[M]+ 151.06277142 126.1
[M]- 151.06386858 126.1
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.