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

11
Patents

190.06299 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.07027 138.9
[M+Na]+ 213.05221 147.9
[M-H]- 189.05571 142.7
[M+NH4]+ 208.09681 164.6
[M+K]+ 229.02615 145.9
[M+H-H2O]+ 173.06025 135.6
[M+HCOO]- 235.06119 158.2
[M+CH3COO]- 249.07684 152.8
[M+Na-2H]- 211.03766 145.6
[M]+ 190.06244 140.2
[M]- 190.06354 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