CID 139125

10309-20-3

Structural Information

Molecular Formula
C11H16O2
SMILES
CC1(C2CCC(C2)(C1=C)C(=O)O)C
InChI
InChI=1S/C11H16O2/c1-7-10(2,3)8-4-5-11(7,6-8)9(12)13/h8H,1,4-6H2,2-3H3,(H,12,13)
InChIKey
JBNCRMFOHKBEFO-UHFFFAOYSA-N
Compound name
3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

180.11504 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.12232 141.3
[M+Na]+ 203.10426 150.1
[M-H]- 179.10776 143.4
[M+NH4]+ 198.14886 169.9
[M+K]+ 219.07820 146.9
[M+H-H2O]+ 163.11230 139.4
[M+HCOO]- 225.11324 160.1
[M+CH3COO]- 239.12889 179.7
[M+Na-2H]- 201.08971 144.4
[M]+ 180.11449 140.2
[M]- 180.11559 140.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.