CID 372426

Nsc647540

Structural Information

Molecular Formula
C12H10O2
SMILES
C1C2C=CC1(C3=CC=CC=C23)C(=O)O
InChI
InChI=1S/C12H10O2/c13-11(14)12-6-5-8(7-12)9-3-1-2-4-10(9)12/h1-6,8H,7H2,(H,13,14)
InChIKey
MDCSRCMVAGQWEU-UHFFFAOYSA-N
Compound name
tricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.06808 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.07536 140.8
[M+Na]+ 209.05730 150.4
[M-H]- 185.06080 144.3
[M+NH4]+ 204.10190 168.1
[M+K]+ 225.03124 146.5
[M+H-H2O]+ 169.06534 137.1
[M+HCOO]- 231.06628 162.1
[M+CH3COO]- 245.08193 154.8
[M+Na-2H]- 207.04275 146.9
[M]+ 186.06753 141.8
[M]- 186.06863 141.8
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.