CID 132372848

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

Structural Information

Molecular Formula
C10H16O4
SMILES
C1CCOC(C1)C2(CCCO2)C(=O)O
InChI
InChI=1S/C10H16O4/c11-9(12)10(5-3-7-14-10)8-4-1-2-6-13-8/h8H,1-7H2,(H,11,12)
InChIKey
XPIPLZHHJRBITM-UHFFFAOYSA-N
Compound name
2-(oxan-2-yl)oxolane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.10486 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.112136 143.7
[M+Na]+ 223.094078 147.3
[M-H]- 199.097584 149.1
[M+NH4]+ 218.138683 162.4
[M+K]+ 239.068018 148.7
[M+H-H2O]+ 183.102120 138.8
[M+HCOO]- 245.103061 159.6
[M+CH3COO]- 259.118711 177.2
[M+Na-2H]- 221.079526 147.9
[M]+ 200.10431142 139.2
[M]- 200.10540858 139.2
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.