CID 83303

5-methoxypent-3-yn-2-one

Structural Information

Molecular Formula
C6H8O2
SMILES
CC(=O)C#CCOC
InChI
InChI=1S/C6H8O2/c1-6(7)4-3-5-8-2/h5H2,1-2H3
InChIKey
OLVDTZHGJBXKBW-UHFFFAOYSA-N
Compound name
5-methoxypent-3-yn-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

112.05243 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.05971 121.2
[M+Na]+ 135.04165 131.6
[M+NH4]+ 130.08625 125.5
[M+K]+ 151.01559 123.8
[M-H]- 111.04515 112.6
[M+Na-2H]- 133.02710 122.6
[M]+ 112.05188 119.2
[M]- 112.05298 119.2
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