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]+ 175.09648 136.9
[M+Na]+ 197.07842 140.9
[M-H]- 173.08192 138.9
[M+NH4]+ 192.12302 154.6
[M+K]+ 213.05236 142.3
[M+H-H2O]+ 157.08646 131.4
[M+HCOO]- 219.08740 154.1
[M+CH3COO]- 233.10305 175.8
[M+Na-2H]- 195.06387 140.8
[M]+ 174.08865 134.8
[M]- 174.08975 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