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]+ 175.09648 136.6
[M+Na]+ 197.07842 140.8
[M-H]- 173.08192 138.5
[M+NH4]+ 192.12302 154.3
[M+K]+ 213.05236 141.8
[M+H-H2O]+ 157.08646 130.9
[M+HCOO]- 219.08740 154.8
[M+CH3COO]- 233.10305 174.9
[M+Na-2H]- 195.06387 141.7
[M]+ 174.08865 135.1
[M]- 174.08975 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