CID 67243617

2-(oxan-3-yloxy)acetic acid

Structural Information

Molecular Formula
C7H12O4
SMILES
C1CC(COC1)OCC(=O)O
InChI
InChI=1S/C7H12O4/c8-7(9)5-11-6-2-1-3-10-4-6/h6H,1-5H2,(H,8,9)
InChIKey
PYLFZGBAIQDVIT-UHFFFAOYSA-N
Compound name
2-(oxan-3-yloxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

160.07356 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.08084 132.0
[M+Na]+ 183.06278 136.6
[M-H]- 159.06628 134.0
[M+NH4]+ 178.10738 150.2
[M+K]+ 199.03672 137.8
[M+H-H2O]+ 143.07082 126.5
[M+HCOO]- 205.07176 150.5
[M+CH3COO]- 219.08741 171.9
[M+Na-2H]- 181.04823 137.6
[M]+ 160.07301 130.1
[M]- 160.07411 130.1
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

patents stripe