CID 83906844

7-oxaspiro[4.5]decane-10-carboxylic acid

Structural Information

Molecular Formula
C10H16O3
SMILES
C1CCC2(C1)COCCC2C(=O)O
InChI
InChI=1S/C10H16O3/c11-9(12)8-3-6-13-7-10(8)4-1-2-5-10/h8H,1-7H2,(H,11,12)
InChIKey
XNBSGHVFSYOPIX-UHFFFAOYSA-N
Compound name
7-oxaspiro[4.5]decane-10-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.10994 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.11722 142.1
[M+Na]+ 207.09916 150.3
[M+NH4]+ 202.14376 151.7
[M+K]+ 223.07310 145.9
[M-H]- 183.10266 144.6
[M+Na-2H]- 205.08461 146.2
[M]+ 184.10939 143.7
[M]- 184.11049 143.7
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

No patent data available for this compound.