CID 23301504

290820-96-1

Structural Information

Molecular Formula
C9H10O2
SMILES
C1CCC2=C(C1)C=C(O2)C=O
InChI
InChI=1S/C9H10O2/c10-6-8-5-7-3-1-2-4-9(7)11-8/h5-6H,1-4H2
InChIKey
AZYRDEJIKZNOMB-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrahydro-1-benzofuran-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

150.06808 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.07536 127.8
[M+Na]+ 173.05730 135.9
[M-H]- 149.06080 132.9
[M+NH4]+ 168.10190 150.7
[M+K]+ 189.03124 135.1
[M+H-H2O]+ 133.06534 123.1
[M+HCOO]- 195.06628 150.0
[M+CH3COO]- 209.08193 173.7
[M+Na-2H]- 171.04275 135.1
[M]+ 150.06753 127.6
[M]- 150.06863 127.6
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