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]+ 215.12779 148.5
[M+Na]+ 237.10973 150.7
[M-H]- 213.11323 153.4
[M+NH4]+ 232.15433 164.6
[M+K]+ 253.08367 152.2
[M+H-H2O]+ 197.11777 142.3
[M+HCOO]- 259.11871 161.8
[M+CH3COO]- 273.13436 180.8
[M+Na-2H]- 235.09518 153.4
[M]+ 214.11996 142.1
[M]- 214.12106 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.