CID 67354131

8-oxaspiro[4.5]decane-2-carboxylicacid

Structural Information

Molecular Formula
C10H16O3
SMILES
C1CC2(CCOCC2)CC1C(=O)O
InChI
InChI=1S/C10H16O3/c11-9(12)8-1-2-10(7-8)3-5-13-6-4-10/h8H,1-7H2,(H,11,12)
InChIKey
JYUBPTCJXFFRRC-UHFFFAOYSA-N
Compound name
8-oxaspiro[4.5]decane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

184.10994 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.11722 141.3
[M+Na]+ 207.09916 145.5
[M-H]- 183.10266 145.2
[M+NH4]+ 202.14376 162.5
[M+K]+ 223.07310 145.1
[M+H-H2O]+ 167.10720 136.5
[M+HCOO]- 229.10814 157.8
[M+CH3COO]- 243.12379 175.1
[M+Na-2H]- 205.08461 144.9
[M]+ 184.10939 135.3
[M]- 184.11049 135.3
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