CID 155819634

2470438-80-1

Structural Information

Molecular Formula
C11H10O3
SMILES
C1CC2C3=C(C1O2)C=CC=C3C(=O)O
InChI
InChI=1S/C11H10O3/c12-11(13)7-3-1-2-6-8-4-5-9(14-8)10(6)7/h1-3,8-9H,4-5H2,(H,12,13)
InChIKey
NFPQTQFVGHINDU-UHFFFAOYSA-N
Compound name
11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.06299 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.07027 138.1
[M+Na]+ 213.05221 146.9
[M-H]- 189.05571 141.9
[M+NH4]+ 208.09681 162.1
[M+K]+ 229.02615 145.0
[M+H-H2O]+ 173.06025 134.8
[M+HCOO]- 235.06119 157.4
[M+CH3COO]- 249.07684 152.0
[M+Na-2H]- 211.03766 143.1
[M]+ 190.06244 139.5
[M]- 190.06354 139.5
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

No patent data available for this compound.