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]+ 191.070266 137.6
[M+Na]+ 213.052208 147.4
[M-H]- 189.055714 141.5
[M+NH4]+ 208.096813 160.0
[M+K]+ 229.026148 144.0
[M+H-H2O]+ 173.060250 133.0
[M+HCOO]- 235.061191 160.3
[M+CH3COO]- 249.076841 179.7
[M+Na-2H]- 211.037656 142.2
[M]+ 190.06244142 138.5
[M]- 190.06353858 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