CID 2795018

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

Structural Information

Molecular Formula
C9H8O2
SMILES
C1COC2=C1C=CC=C2C=O
InChI
InChI=1S/C9H8O2/c10-6-8-3-1-2-7-4-5-11-9(7)8/h1-3,6H,4-5H2
InChIKey
CLXXUGOCVBQNAI-UHFFFAOYSA-N
Compound name
2,3-dihydro-1-benzofuran-7-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

277
Patents

148.05243 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.059706 126.0
[M+Na]+ 171.041648 135.2
[M-H]- 147.045154 131.5
[M+NH4]+ 166.086253 149.1
[M+K]+ 187.015588 134.2
[M+H-H2O]+ 131.049690 121.3
[M+HCOO]- 193.050631 149.6
[M+CH3COO]- 207.066281 173.3
[M+Na-2H]- 169.027096 134.3
[M]+ 148.05188142 127.2
[M]- 148.05297858 127.2
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