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

97
Patents

200.10486 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.112136 142.6
[M+Na]+ 223.094078 147.9
[M-H]- 199.097584 147.5
[M+NH4]+ 218.138683 163.9
[M+K]+ 239.068018 149.2
[M+H-H2O]+ 183.102120 138.7
[M+HCOO]- 245.103061 158.3
[M+CH3COO]- 259.118711 177.3
[M+Na-2H]- 221.079526 148.6
[M]+ 200.10431142 139.2
[M]- 200.10540858 139.2
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