CID 511459

1,6-methanonaphthalene-1(2h)-carboxylic acid, octahydro-

Structural Information

Molecular Formula
C12H18O2
SMILES
C1CC2CC3CCC2C(C1)(C3)C(=O)O
InChI
InChI=1S/C12H18O2/c13-11(14)12-5-1-2-9-6-8(7-12)3-4-10(9)12/h8-10H,1-7H2,(H,13,14)
InChIKey
IZYZZBOBZRNGBD-UHFFFAOYSA-N
Compound name
tricyclo[5.3.1.03,8]undecane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

194.13068 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.13796 142.4
[M+Na]+ 217.11990 144.8
[M-H]- 193.12340 139.3
[M+NH4]+ 212.16450 167.1
[M+K]+ 233.09384 141.8
[M+H-H2O]+ 177.12794 136.9
[M+HCOO]- 239.12888 149.6
[M+CH3COO]- 253.14453 151.7
[M+Na-2H]- 215.10535 151.2
[M]+ 194.13013 138.8
[M]- 194.13123 138.8
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.