CID 137943447

Bicyclo[6.2.0]decane-9-carboxylic acid

Structural Information

Molecular Formula
C11H18O2
SMILES
C1CCCC2C(CC1)CC2C(=O)O
InChI
InChI=1S/C11H18O2/c12-11(13)10-7-8-5-3-1-2-4-6-9(8)10/h8-10H,1-7H2,(H,12,13)
InChIKey
KOPVEPGHJHGVKF-UHFFFAOYSA-N
Compound name
bicyclo[6.2.0]decane-9-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.13068 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.137956 135.6
[M+Na]+ 205.119898 139.0
[M-H]- 181.123404 137.0
[M+NH4]+ 200.164503 142.1
[M+K]+ 221.093838 140.8
[M+H-H2O]+ 165.127940 130.7
[M+HCOO]- 227.128881 143.0
[M+CH3COO]- 241.144531 222.5
[M+Na-2H]- 203.105346 136.5
[M]+ 182.13013142 137.5
[M]- 182.13122858 137.5
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.