CID 163321411

8-oxatricyclo[7.1.1.0,2,7]undeca-2,4,6-triene-1-carboxylic acid

Structural Information

Molecular Formula
C11H10O3
SMILES
C1C2CC1(C3=CC=CC=C3O2)C(=O)O
InChI
InChI=1S/C11H10O3/c12-10(13)11-5-7(6-11)14-9-4-2-1-3-8(9)11/h1-4,7H,5-6H2,(H,12,13)
InChIKey
RHZLCYJGMDSZKG-UHFFFAOYSA-N
Compound name
8-oxatricyclo[7.1.1.02,7]undeca-2,4,6-triene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.06299 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.07027 133.7
[M+Na]+ 213.05221 141.3
[M+NH4]+ 208.09681 141.4
[M+K]+ 229.02615 135.8
[M-H]- 189.05571 132.0
[M+Na-2H]- 211.03766 133.7
[M]+ 190.06244 133.3
[M]- 190.06354 133.3
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

No patent data available for this compound.