CID 2795471

2,2-dimethyl-2,3-dihydro-1-benzofuran-7-carbaldehyde

Structural Information

Molecular Formula
C11H12O2
SMILES
CC1(CC2=C(O1)C(=CC=C2)C=O)C
InChI
InChI=1S/C11H12O2/c1-11(2)6-8-4-3-5-9(7-12)10(8)13-11/h3-5,7H,6H2,1-2H3
InChIKey
HGKYVFOYQUSRQN-UHFFFAOYSA-N
Compound name
2,2-dimethyl-3H-1-benzofuran-7-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

176.08372 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.09100 135.5
[M+Na]+ 199.07294 148.6
[M+NH4]+ 194.11754 146.4
[M+K]+ 215.04688 142.0
[M-H]- 175.07644 139.1
[M+Na-2H]- 197.05839 142.2
[M]+ 176.08317 138.6
[M]- 176.08427 138.6
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