CID 126827597

2094365-59-8

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]+ 215.127786 148.5
[M+Na]+ 237.109728 150.7
[M-H]- 213.113234 153.4
[M+NH4]+ 232.154333 164.6
[M+K]+ 253.083668 152.2
[M+H-H2O]+ 197.117770 142.3
[M+HCOO]- 259.118711 161.8
[M+CH3COO]- 273.134361 180.8
[M+Na-2H]- 235.095176 153.4
[M]+ 214.11996142 142.1
[M]- 214.12105858 142.1
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.