CID 178200151

2-hydroxy-2-{8-hydroxyspiro[4.5]decan-8-yl}acetic acid

Structural Information

Molecular Formula
C12H20O4
SMILES
C1CCC2(C1)CCC(CC2)(C(C(=O)O)O)O
InChI
InChI=1S/C12H20O4/c13-9(10(14)15)12(16)7-5-11(6-8-12)3-1-2-4-11/h9,13,16H,1-8H2,(H,14,15)
InChIKey
GJZDDORHPVNFFD-UHFFFAOYSA-N
Compound name
2-hydroxy-2-(8-hydroxyspiro[4.5]decan-8-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.13615 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.143426 155.6
[M+Na]+ 251.125368 158.8
[M-H]- 227.128874 156.1
[M+NH4]+ 246.169973 176.8
[M+K]+ 267.099308 156.5
[M+H-H2O]+ 211.133410 151.8
[M+HCOO]- 273.134351 168.4
[M+CH3COO]- 287.150001 179.1
[M+Na-2H]- 249.110816 156.6
[M]+ 228.13560142 147.4
[M]- 228.13669858 147.4
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.