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

208
Patents

175.06332 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.070596 132.4
[M+Na]+ 198.052538 142.7
[M-H]- 174.056044 137.0
[M+NH4]+ 193.097143 149.2
[M+K]+ 214.026478 140.5
[M+H-H2O]+ 158.060580 120.0
[M+HCOO]- 220.061521 149.2
[M+CH3COO]- 234.077171 144.9
[M+Na-2H]- 196.037986 141.9
[M]+ 175.06277142 128.1
[M]- 175.06386858 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