CID 19037415

3-(oxan-4-yloxy)propanoic acid

Structural Information

Molecular Formula
C8H14O4
SMILES
C1COCCC1OCCC(=O)O
InChI
InChI=1S/C8H14O4/c9-8(10)3-6-12-7-1-4-11-5-2-7/h7H,1-6H2,(H,9,10)
InChIKey
MCBYIKGPZJZPBF-UHFFFAOYSA-N
Compound name
3-(oxan-4-yloxy)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

174.0892 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.096476 136.6
[M+Na]+ 197.078418 140.8
[M-H]- 173.081924 138.5
[M+NH4]+ 192.123023 154.3
[M+K]+ 213.052358 141.8
[M+H-H2O]+ 157.086460 130.9
[M+HCOO]- 219.087401 154.8
[M+CH3COO]- 233.103051 174.9
[M+Na-2H]- 195.063866 141.7
[M]+ 174.08865142 135.1
[M]- 174.08974858 135.1
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