CID 71758593

2-(4-methoxy-2,3-dihydro-1-benzofuran-2-yl)acetonitrile

Structural Information

Molecular Formula
C11H11NO2
SMILES
COC1=CC=CC2=C1CC(O2)CC#N
InChI
InChI=1S/C11H11NO2/c1-13-10-3-2-4-11-9(10)7-8(14-11)5-6-12/h2-4,8H,5,7H2,1H3
InChIKey
CLVGBWZRFVMNPB-UHFFFAOYSA-N
Compound name
2-(4-methoxy-2,3-dihydro-1-benzofuran-2-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.07898 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.08626 138.4
[M+Na]+ 212.06820 149.9
[M-H]- 188.07170 143.0
[M+NH4]+ 207.11280 157.9
[M+K]+ 228.04214 146.4
[M+H-H2O]+ 172.07624 126.6
[M+HCOO]- 234.07718 157.7
[M+CH3COO]- 248.09283 194.6
[M+Na-2H]- 210.05365 144.6
[M]+ 189.07843 136.1
[M]- 189.07953 136.1
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

No patent data available for this compound.