CID 74152

4-methylpent-1-en-3-one

Structural Information

Molecular Formula
C6H10O
SMILES
CC(C)C(=O)C=C
InChI
InChI=1S/C6H10O/c1-4-6(7)5(2)3/h4-5H,1H2,2-3H3
InChIKey
SNOYUTZWILESAI-UHFFFAOYSA-N
Compound name
4-methylpent-1-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1742
Patents

98.073166 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.080442 120.3
[M+Na]+ 121.06238 130.9
[M+NH4]+ 116.10699 128.4
[M+K]+ 137.03632 125.9
[M-H]- 97.065890 119.7
[M+Na-2H]- 119.04783 124.1
[M]+ 98.072617 121.4
[M]- 98.073715 121.4
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