CID 45084738

Bicyclo[3.2.1]octa-2,6-diene-3-carboxylic acid

Structural Information

Molecular Formula
C9H10O2
SMILES
C1C2CC(=CC1C=C2)C(=O)O
InChI
InChI=1S/C9H10O2/c10-9(11)8-4-6-1-2-7(3-6)5-8/h1-2,4,6-7H,3,5H2,(H,10,11)
InChIKey
FKIOICDQRSBEFF-UHFFFAOYSA-N
Compound name
bicyclo[3.2.1]octa-2,6-diene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

150.06808 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.075356 129.8
[M+Na]+ 173.057298 137.4
[M-H]- 149.060804 131.6
[M+NH4]+ 168.101903 153.8
[M+K]+ 189.031238 135.1
[M+H-H2O]+ 133.065340 125.6
[M+HCOO]- 195.066281 150.0
[M+CH3COO]- 209.081931 173.1
[M+Na-2H]- 171.042746 135.4
[M]+ 150.06753142 128.4
[M]- 150.06862858 128.4
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.