CID 10909515

2745-25-7

Structural Information

Molecular Formula
C6H5NO
SMILES
C1=COC(=C1)CC#N
InChI
InChI=1S/C6H5NO/c7-4-3-6-2-1-5-8-6/h1-2,5H,3H2
InChIKey
XAQZDZHAWDJHJF-UHFFFAOYSA-N
Compound name
2-(furan-2-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

245
Patents

107.03712 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 108.04440 117.3
[M+Na]+ 130.02634 128.2
[M-H]- 106.02984 121.2
[M+NH4]+ 125.07094 138.4
[M+K]+ 146.00028 127.2
[M+H-H2O]+ 90.034380 105.6
[M+HCOO]- 152.03532 139.2
[M+CH3COO]- 166.05097 179.5
[M+Na-2H]- 128.01179 125.5
[M]+ 107.03657 113.8
[M]- 107.03767 113.8
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