CID 267531

2-(2,3-dihydro-1,4-benzodioxin-2-yl)acetonitrile

Structural Information

Molecular Formula
C10H9NO2
SMILES
C1C(OC2=CC=CC=C2O1)CC#N
InChI
InChI=1S/C10H9NO2/c11-6-5-8-7-12-9-3-1-2-4-10(9)13-8/h1-4,8H,5,7H2
InChIKey
PWZFEIJALHLRKF-UHFFFAOYSA-N
Compound name
2-(2,3-dihydro-1,4-benzodioxin-3-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

201
Patents

175.06332 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.07060 132.4
[M+Na]+ 198.05254 142.7
[M-H]- 174.05604 137.0
[M+NH4]+ 193.09714 149.2
[M+K]+ 214.02648 140.5
[M+H-H2O]+ 158.06058 120.0
[M+HCOO]- 220.06152 149.2
[M+CH3COO]- 234.07717 144.9
[M+Na-2H]- 196.03799 141.9
[M]+ 175.06277 128.1
[M]- 175.06387 128.1
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