CID 10986528

196399-53-8

Structural Information

Molecular Formula
C10H9NO
SMILES
C1COC2=C1C=C(C=C2)CC#N
InChI
InChI=1S/C10H9NO/c11-5-3-8-1-2-10-9(7-8)4-6-12-10/h1-2,7H,3-4,6H2
InChIKey
XMZGPMWFOOVMGC-UHFFFAOYSA-N
Compound name
2-(2,3-dihydro-1-benzofuran-5-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

159.06842 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.07570 135.7
[M+Na]+ 182.05764 148.0
[M+NH4]+ 177.10224 141.9
[M+K]+ 198.03158 139.6
[M-H]- 158.06114 132.1
[M+Na-2H]- 180.04309 138.9
[M]+ 159.06787 135.7
[M]- 159.06897 135.7
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

patents stripe