CID 132398826

2-(oxolan-2-yl)oxolane-2-carboxylic acid

Structural Information

Molecular Formula
C9H14O4
SMILES
C1CC(OC1)C2(CCCO2)C(=O)O
InChI
InChI=1S/C9H14O4/c10-8(11)9(4-2-6-13-9)7-3-1-5-12-7/h7H,1-6H2,(H,10,11)
InChIKey
LSZBEWSMXRIPLZ-UHFFFAOYSA-N
Compound name
2-(oxolan-2-yl)oxolane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.0892 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.096476 139.6
[M+Na]+ 209.078418 144.3
[M-H]- 185.081924 145.4
[M+NH4]+ 204.123023 160.6
[M+K]+ 225.052358 145.9
[M+H-H2O]+ 169.086460 135.8
[M+HCOO]- 231.087401 157.8
[M+CH3COO]- 245.103051 174.2
[M+Na-2H]- 207.063866 143.0
[M]+ 186.08865142 136.8
[M]- 186.08974858 136.8
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

No patent data available for this compound.