CID 61286942

4-(oxan-4-yloxy)butanoic acid

Structural Information

Molecular Formula
C9H16O4
SMILES
C1COCCC1OCCCC(=O)O
InChI
InChI=1S/C9H16O4/c10-9(11)2-1-5-13-8-3-6-12-7-4-8/h8H,1-7H2,(H,10,11)
InChIKey
YCNUCQZUBKJRSF-UHFFFAOYSA-N
Compound name
4-(oxan-4-yloxy)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.10486 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.11214 141.3
[M+Na]+ 211.09408 145.1
[M-H]- 187.09758 143.0
[M+NH4]+ 206.13868 158.4
[M+K]+ 227.06802 145.7
[M+H-H2O]+ 171.10212 135.4
[M+HCOO]- 233.10306 159.2
[M+CH3COO]- 247.11871 177.9
[M+Na-2H]- 209.07953 145.8
[M]+ 188.10431 140.1
[M]- 188.10541 140.1
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

No patent data available for this compound.