CID 19420963

1461727-03-6

Structural Information

Molecular Formula
C11H10O3
SMILES
COC1=CC2=C(C/C(=C/O)/C2=O)C=C1
InChI
InChI=1S/C11H10O3/c1-14-9-3-2-7-4-8(6-12)11(13)10(7)5-9/h2-3,5-6,12H,4H2,1H3/b8-6-
InChIKey
LNSBRXNYSHWXSN-VURMDHGXSA-N
Compound name
(2Z)-2-(hydroxymethylidene)-6-methoxy-3H-inden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

190.06299 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.07027 137.6
[M+Na]+ 213.05221 147.4
[M-H]- 189.05571 141.5
[M+NH4]+ 208.09681 160.0
[M+K]+ 229.02615 144.0
[M+H-H2O]+ 173.06025 133.0
[M+HCOO]- 235.06119 160.3
[M+CH3COO]- 249.07684 179.7
[M+Na-2H]- 211.03766 142.2
[M]+ 190.06244 138.5
[M]- 190.06354 138.5
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