CID 86217377

Oxybutynin al

Structural Information

Molecular Formula
C5H2O2
SMILES
C(=O)C#CC#CO
InChI
InChI=1S/C5H2O2/c6-4-2-1-3-5-7/h4,7H
InChIKey
HKRQYGNUINCFGR-UHFFFAOYSA-N
Compound name
5-hydroxypenta-2,4-diynal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1099
References

0
Patents

94.00548 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 95.012756 145.0
[M+Na]+ 116.99470 153.0
[M+NH4]+ 112.03930 145.4
[M+K]+ 132.96864 143.8
[M-H]- 92.998204 132.4
[M+Na-2H]- 114.98015 143.0
[M]+ 94.004931 141.2
[M]- 94.006029 141.2
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

No patent data available for this compound.