CID 21221100

2-(oxan-4-yloxy)propanoic acid

Structural Information

Molecular Formula
C8H14O4
SMILES
CC(C(=O)O)OC1CCOCC1
InChI
InChI=1S/C8H14O4/c1-6(8(9)10)12-7-2-4-11-5-3-7/h6-7H,2-5H2,1H3,(H,9,10)
InChIKey
AVKWYCXTWMOPTJ-UHFFFAOYSA-N
Compound name
2-(oxan-4-yloxy)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

174.0892 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.096476 136.9
[M+Na]+ 197.078418 140.9
[M-H]- 173.081924 138.9
[M+NH4]+ 192.123023 154.6
[M+K]+ 213.052358 142.3
[M+H-H2O]+ 157.086460 131.4
[M+HCOO]- 219.087401 154.1
[M+CH3COO]- 233.103051 175.8
[M+Na-2H]- 195.063866 140.8
[M]+ 174.08865142 134.8
[M]- 174.08974858 134.8
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