CID 5325137

2-furanacrylonitrile

Structural Information

Molecular Formula
C7H5NO
SMILES
C1=COC(=C1)/C=C/C#N
InChI
InChI=1S/C7H5NO/c8-5-1-3-7-4-2-6-9-7/h1-4,6H/b3-1+
InChIKey
ZHKAQNFBQHPERX-HNQUOIGGSA-N
Compound name
(E)-3-(furan-2-yl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

155
Patents

119.03712 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.04440 121.9
[M+Na]+ 142.02634 132.8
[M-H]- 118.02984 125.7
[M+NH4]+ 137.07094 142.5
[M+K]+ 158.00028 131.0
[M+H-H2O]+ 102.03438 110.1
[M+HCOO]- 164.03532 143.6
[M+CH3COO]- 178.05097 180.7
[M+Na-2H]- 140.01179 129.5
[M]+ 119.03657 118.0
[M]- 119.03767 118.0
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

patents stripe