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]+ 151.07536 129.8
[M+Na]+ 173.05730 137.4
[M-H]- 149.06080 131.6
[M+NH4]+ 168.10190 153.8
[M+K]+ 189.03124 135.1
[M+H-H2O]+ 133.06534 125.6
[M+HCOO]- 195.06628 150.0
[M+CH3COO]- 209.08193 173.1
[M+Na-2H]- 171.04275 135.4
[M]+ 150.06753 128.4
[M]- 150.06863 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.