CID 140359

Spiro[5.5]undecane-3-carboxylic acid

Structural Information

Molecular Formula
C12H20O2
SMILES
C1CCC2(CC1)CCC(CC2)C(=O)O
InChI
InChI=1S/C12H20O2/c13-11(14)10-4-8-12(9-5-10)6-2-1-3-7-12/h10H,1-9H2,(H,13,14)
InChIKey
IMZALJRIJNIAON-UHFFFAOYSA-N
Compound name
spiro[5.5]undecane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

196.14633 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.15361 147.3
[M+Na]+ 219.13555 149.7
[M-H]- 195.13905 150.0
[M+NH4]+ 214.18015 167.5
[M+K]+ 235.10949 147.6
[M+H-H2O]+ 179.14359 141.5
[M+HCOO]- 241.14453 161.7
[M+CH3COO]- 255.16018 179.5
[M+Na-2H]- 217.12100 150.2
[M]+ 196.14578 137.7
[M]- 196.14688 137.7
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

patents stripe