CID 168354991

Chebi:195259

Structural Information

Molecular Formula
C12H10O3
SMILES
C1[C@@H]\2[C@H](C3=CC=CC=C31)OC(=O)/C2=C/O
InChI
InChI=1S/C12H10O3/c13-6-10-9-5-7-3-1-2-4-8(7)11(9)15-12(10)14/h1-4,6,9,11,13H,5H2/b10-6+/t9-,11-/m0/s1
InChIKey
KQZJQEXMNIFYCA-CXZNFISWSA-N
Compound name
(3E,3aS,8bR)-3-(hydroxymethylidene)-4,8b-dihydro-3aH-indeno[1,2-b]furan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.06299 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.07027 141.0
[M+Na]+ 225.05221 150.7
[M-H]- 201.05571 146.3
[M+NH4]+ 220.09681 164.2
[M+K]+ 241.02615 147.6
[M+H-H2O]+ 185.06025 137.4
[M+HCOO]- 247.06119 161.5
[M+CH3COO]- 261.07684 155.1
[M+Na-2H]- 223.03766 145.1
[M]+ 202.06244 141.1
[M]- 202.06354 141.1
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

No patent data available for this compound.