CID 91972068

1244954-14-0

Structural Information

Molecular Formula
C11H10O3
SMILES
C1C[C@@]2(C3=CC=CC=C3[C@H]1O2)C(=O)O
InChI
InChI=1S/C11H10O3/c12-10(13)11-6-5-9(14-11)7-3-1-2-4-8(7)11/h1-4,9H,5-6H2,(H,12,13)/t9-,11+/m0/s1
InChIKey
ZRBQIRRMWRKZTO-GXSJLCMTSA-N
Compound name
(1R,8S)-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

190.06299 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.070266 138.9
[M+Na]+ 213.052208 147.9
[M-H]- 189.055714 142.7
[M+NH4]+ 208.096813 164.6
[M+K]+ 229.026148 145.9
[M+H-H2O]+ 173.060250 135.6
[M+HCOO]- 235.061191 158.2
[M+CH3COO]- 249.076841 152.8
[M+Na-2H]- 211.037656 145.6
[M]+ 190.06244142 140.2
[M]- 190.06353858 140.2
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