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

45
Patents

196.14633 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.153606 147.3
[M+Na]+ 219.135548 149.7
[M-H]- 195.139054 150.0
[M+NH4]+ 214.180153 167.5
[M+K]+ 235.109488 147.6
[M+H-H2O]+ 179.143590 141.5
[M+HCOO]- 241.144531 161.7
[M+CH3COO]- 255.160181 179.5
[M+Na-2H]- 217.120996 150.2
[M]+ 196.14578142 137.7
[M]- 196.14687858 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