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]+ 177.090996 134.7
[M+Na]+ 199.072938 144.9
[M-H]- 175.076444 140.6
[M+NH4]+ 194.117543 157.3
[M+K]+ 215.046878 143.4
[M+H-H2O]+ 159.080980 130.2
[M+HCOO]- 221.081921 157.6
[M+CH3COO]- 235.097571 181.7
[M+Na-2H]- 197.058386 140.6
[M]+ 176.08317142 137.5
[M]- 176.08426858 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.