CID 14921474

13733-46-5

Structural Information

Molecular Formula
C12H12O2
SMILES
C1CC2(CC1C3=CC=CC=C32)C(=O)O
InChI
InChI=1S/C12H12O2/c13-11(14)12-6-5-8(7-12)9-3-1-2-4-10(9)12/h1-4,8H,5-7H2,(H,13,14)
InChIKey
UMMVSVNWRMJICT-UHFFFAOYSA-N
Compound name
tricyclo[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

17
Patents

188.08372 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.09100 140.9
[M+Na]+ 211.07294 150.8
[M+NH4]+ 206.11754 152.1
[M+K]+ 227.04688 146.4
[M-H]- 187.07644 141.4
[M+Na-2H]- 209.05839 144.3
[M]+ 188.08317 142.4
[M]- 188.08427 142.4
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

patents stripe