CID 137945324

Bicyclo[6.2.0]dec-9-ene-9-carboxylic acid

Structural Information

Molecular Formula
C11H16O2
SMILES
C1CCCC2C(CC1)C=C2C(=O)O
InChI
InChI=1S/C11H16O2/c12-11(13)10-7-8-5-3-1-2-4-6-9(8)10/h7-9H,1-6H2,(H,12,13)
InChIKey
MRWLUPXPOIVQRJ-UHFFFAOYSA-N
Compound name
bicyclo[6.2.0]dec-9-ene-9-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.11504 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.12232 134.5
[M+Na]+ 203.10426 138.4
[M-H]- 179.10776 136.1
[M+NH4]+ 198.14886 141.1
[M+K]+ 219.07820 140.0
[M+H-H2O]+ 163.11230 129.6
[M+HCOO]- 225.11324 142.6
[M+CH3COO]- 239.12889 222.4
[M+Na-2H]- 201.08971 135.8
[M]+ 180.11449 137.0
[M]- 180.11559 137.0
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.