CID 22406728

2-(2,3-dihydrobenzofuran-7-yl)acetonitrile

Structural Information

Molecular Formula
C10H9NO
SMILES
C1COC2=C1C=CC=C2CC#N
InChI
InChI=1S/C10H9NO/c11-6-4-8-2-1-3-9-5-7-12-10(8)9/h1-3H,4-5,7H2
InChIKey
ONTHGZCBSRNOMX-UHFFFAOYSA-N
Compound name
2-(2,3-dihydro-1-benzofuran-7-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

159.06842 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.075696 132.2
[M+Na]+ 182.057638 143.4
[M-H]- 158.061144 136.5
[M+NH4]+ 177.102243 152.5
[M+K]+ 198.031578 139.4
[M+H-H2O]+ 142.065680 120.4
[M+HCOO]- 204.066621 151.6
[M+CH3COO]- 218.082271 145.3
[M+Na-2H]- 180.043086 139.4
[M]+ 159.06787142 127.9
[M]- 159.06896858 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