CID 15101121

2-(1,4-dioxaspiro[4.5]decan-8-yl)acetic acid

Structural Information

Molecular Formula
C10H16O4
SMILES
C1CC2(CCC1CC(=O)O)OCCO2
InChI
InChI=1S/C10H16O4/c11-9(12)7-8-1-3-10(4-2-8)13-5-6-14-10/h8H,1-7H2,(H,11,12)
InChIKey
RDZCSTLPRXANJV-UHFFFAOYSA-N
Compound name
2-(1,4-dioxaspiro[4.5]decan-8-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

126
Patents

200.10486 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.112136 143.5
[M+Na]+ 223.094078 147.8
[M-H]- 199.097584 148.1
[M+NH4]+ 218.138683 162.8
[M+K]+ 239.068018 148.9
[M+H-H2O]+ 183.102120 138.9
[M+HCOO]- 245.103061 159.3
[M+CH3COO]- 259.118711 177.5
[M+Na-2H]- 221.079526 148.3
[M]+ 200.10431142 139.7
[M]- 200.10540858 139.7
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