CID 83480313

2-methyl-2,3-dihydro-1-benzofuran-6-carbaldehyde

Structural Information

Molecular Formula
C10H10O2
SMILES
CC1CC2=C(O1)C=C(C=C2)C=O
InChI
InChI=1S/C10H10O2/c1-7-4-9-3-2-8(6-11)5-10(9)12-7/h2-3,5-7H,4H2,1H3
InChIKey
AZNSOIPQHUZYJL-UHFFFAOYSA-N
Compound name
2-methyl-2,3-dihydro-1-benzofuran-6-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

162.06808 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.07536 130.4
[M+Na]+ 185.05730 140.1
[M-H]- 161.06080 136.1
[M+NH4]+ 180.10190 153.2
[M+K]+ 201.03124 138.9
[M+H-H2O]+ 145.06534 125.8
[M+HCOO]- 207.06628 153.7
[M+CH3COO]- 221.08193 177.5
[M+Na-2H]- 183.04275 137.5
[M]+ 162.06753 132.4
[M]- 162.06863 132.4
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