CID 132398779

2,3-dimethyl-2,3-dihydro-1-benzofuran-5-carbaldehyde

Structural Information

Molecular Formula
C11H12O2
SMILES
CC1C(OC2=C1C=C(C=C2)C=O)C
InChI
InChI=1S/C11H12O2/c1-7-8(2)13-11-4-3-9(6-12)5-10(7)11/h3-8H,1-2H3
InChIKey
CYRJABLGGCXXSD-UHFFFAOYSA-N
Compound name
2,3-dimethyl-2,3-dihydro-1-benzofuran-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.08372 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.09100 134.7
[M+Na]+ 199.07294 144.9
[M-H]- 175.07644 140.6
[M+NH4]+ 194.11754 157.3
[M+K]+ 215.04688 143.4
[M+H-H2O]+ 159.08098 130.2
[M+HCOO]- 221.08192 157.6
[M+CH3COO]- 235.09757 181.7
[M+Na-2H]- 197.05839 140.6
[M]+ 176.08317 137.5
[M]- 176.08427 137.5
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.