CID 13392615

1,4-dioxaspiro[4.4]nonane-6-carboxylic acid

Structural Information

Molecular Formula
C8H12O4
SMILES
C1CC(C2(C1)OCCO2)C(=O)O
InChI
InChI=1S/C8H12O4/c9-7(10)6-2-1-3-8(6)11-4-5-12-8/h6H,1-5H2,(H,9,10)
InChIKey
RMNUHMJLVUBJPN-UHFFFAOYSA-N
Compound name
1,4-dioxaspiro[4.4]nonane-9-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

172.07356 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.080836 135.2
[M+Na]+ 195.062778 141.1
[M-H]- 171.066284 140.4
[M+NH4]+ 190.107383 157.4
[M+K]+ 211.036718 142.5
[M+H-H2O]+ 155.070820 131.8
[M+HCOO]- 217.071761 153.7
[M+CH3COO]- 231.087411 171.5
[M+Na-2H]- 193.048226 139.7
[M]+ 172.07301142 132.8
[M]- 172.07410858 132.8
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