CID 11715216

2-(2,3-dihydro-1-benzofuran-3-yl)acetonitrile

Structural Information

Molecular Formula
C10H9NO
SMILES
C1C(C2=CC=CC=C2O1)CC#N
InChI
InChI=1S/C10H9NO/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,8H,5,7H2
InChIKey
ZKQIFIPFFDCXJD-UHFFFAOYSA-N
Compound name
2-(2,3-dihydro-1-benzofuran-3-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

159.06842 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.07570 132.2
[M+Na]+ 182.05764 143.4
[M-H]- 158.06114 136.5
[M+NH4]+ 177.10224 152.5
[M+K]+ 198.03158 139.4
[M+H-H2O]+ 142.06568 120.4
[M+HCOO]- 204.06662 151.6
[M+CH3COO]- 218.08227 145.3
[M+Na-2H]- 180.04309 139.4
[M]+ 159.06787 127.9
[M]- 159.06897 127.9
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