CID 11137616

1,2,6,7-tetrahydro-8h-indeno[5,4-b]furan-8-one

Structural Information

Molecular Formula
C11H10O2
SMILES
C1CC(=O)C2=C1C=CC3=C2CCO3
InChI
InChI=1S/C11H10O2/c12-9-3-1-7-2-4-10-8(11(7)9)5-6-13-10/h2,4H,1,3,5-6H2
InChIKey
ZZUIZMWFNOKNLN-UHFFFAOYSA-N
Compound name
1,2,6,7-tetrahydrocyclopenta[e][1]benzofuran-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

121
Patents

174.06808 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.07536 133.9
[M+Na]+ 197.05730 143.4
[M-H]- 173.06080 140.4
[M+NH4]+ 192.10190 158.8
[M+K]+ 213.03124 141.5
[M+H-H2O]+ 157.06534 130.0
[M+HCOO]- 219.06628 156.0
[M+CH3COO]- 233.08193 148.8
[M+Na-2H]- 195.04275 139.5
[M]+ 174.06753 134.4
[M]- 174.06863 134.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe