CID 361661

Nsc624879

Structural Information

Molecular Formula
C12H10O3
SMILES
C1CC2=C3C(=C(OC3=CC=C2)C(=O)O)C1
InChI
InChI=1S/C12H10O3/c13-12(14)11-8-5-1-3-7-4-2-6-9(15-11)10(7)8/h2,4,6H,1,3,5H2,(H,13,14)
InChIKey
VRXQTOMNOCWCLP-UHFFFAOYSA-N
Compound name
2-oxatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.06299 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.07027 139.1
[M+Na]+ 225.05221 148.3
[M-H]- 201.05571 143.8
[M+NH4]+ 220.09681 160.6
[M+K]+ 241.02615 146.1
[M+H-H2O]+ 185.06025 134.2
[M+HCOO]- 247.06119 159.2
[M+CH3COO]- 261.07684 153.0
[M+Na-2H]- 223.03766 146.6
[M]+ 202.06244 141.4
[M]- 202.06354 141.4
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.