CID 78829

4-butoxy-4-oxobutanoic acid

Structural Information

Molecular Formula
C8H14O4
SMILES
CCCCOC(=O)CCC(=O)O
InChI
InChI=1S/C8H14O4/c1-2-3-6-12-8(11)5-4-7(9)10/h2-6H2,1H3,(H,9,10)
InChIKey
OGYSYXDNLPNNPW-UHFFFAOYSA-N
Compound name
4-butoxy-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1315
Patents

174.0892 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.09648 138.5
[M+Na]+ 197.07842 146.6
[M+NH4]+ 192.12302 144.1
[M+K]+ 213.05236 143.1
[M-H]- 173.08192 135.4
[M+Na-2H]- 195.06387 139.6
[M]+ 174.08865 138.3
[M]- 174.08975 138.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe