CID 22591379

8-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylic acid

Structural Information

Molecular Formula
C10H16O4
SMILES
CC1(CCC2(CC1)OCCO2)C(=O)O
InChI
InChI=1S/C10H16O4/c1-9(8(11)12)2-4-10(5-3-9)13-6-7-14-10/h2-7H2,1H3,(H,11,12)
InChIKey
REHMBWJXVOATBQ-UHFFFAOYSA-N
Compound name
8-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

200.10486 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.11214 143.7
[M+Na]+ 223.09408 152.0
[M+NH4]+ 218.13868 154.1
[M+K]+ 239.06802 146.8
[M-H]- 199.09758 147.0
[M+Na-2H]- 221.07953 148.6
[M]+ 200.10431 145.8
[M]- 200.10541 145.8
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