CID 126827597

4-(oxan-2-yl)oxane-4-carboxylic acid

Structural Information

Molecular Formula
C11H18O4
SMILES
C1CCOC(C1)C2(CCOCC2)C(=O)O
InChI
InChI=1S/C11H18O4/c12-10(13)11(4-7-14-8-5-11)9-3-1-2-6-15-9/h9H,1-8H2,(H,12,13)
InChIKey
CESDUJUNWKCURN-UHFFFAOYSA-N
Compound name
4-(oxan-2-yl)oxane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.12051 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.12779 149.4
[M+Na]+ 237.10973 158.5
[M+NH4]+ 232.15433 158.4
[M+K]+ 253.08367 152.7
[M-H]- 213.11323 154.1
[M+Na-2H]- 235.09518 154.1
[M]+ 214.11996 151.9
[M]- 214.12106 151.9
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.