CID 155858498

5,8-dioxaspiro[3.5]nonane-2-carboxylic acid

Structural Information

Molecular Formula
C8H12O4
SMILES
C1COC2(CC(C2)C(=O)O)CO1
InChI
InChI=1S/C8H12O4/c9-7(10)6-3-8(4-6)5-11-1-2-12-8/h6H,1-5H2,(H,9,10)
InChIKey
ZMSREWUVHJJPMN-UHFFFAOYSA-N
Compound name
5,8-dioxaspiro[3.5]nonane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.07356 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.080836 127.6
[M+Na]+ 195.062778 131.5
[M-H]- 171.066284 132.7
[M+NH4]+ 190.107383 140.0
[M+K]+ 211.036718 136.7
[M+H-H2O]+ 155.070820 118.2
[M+HCOO]- 217.071761 143.2
[M+CH3COO]- 231.087411 176.9
[M+Na-2H]- 193.048226 135.4
[M]+ 172.07301142 133.6
[M]- 172.07410858 133.6
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.