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]+ 161.080836 132.0
[M+Na]+ 183.062778 136.6
[M-H]- 159.066284 134.0
[M+NH4]+ 178.107383 150.2
[M+K]+ 199.036718 137.8
[M+H-H2O]+ 143.070820 126.5
[M+HCOO]- 205.071761 150.5
[M+CH3COO]- 219.087411 171.9
[M+Na-2H]- 181.048226 137.6
[M]+ 160.07301142 130.1
[M]- 160.07410858 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