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]+ 229.14343 155.6
[M+Na]+ 251.12537 158.8
[M-H]- 227.12887 156.1
[M+NH4]+ 246.16997 176.8
[M+K]+ 267.09931 156.5
[M+H-H2O]+ 211.13341 151.8
[M+HCOO]- 273.13435 168.4
[M+CH3COO]- 287.15000 179.1
[M+Na-2H]- 249.11082 156.6
[M]+ 228.13560 147.4
[M]- 228.13670 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.