CID 544588

2,3-dimethylcyclobutan-1-one

Structural Information

Molecular Formula
C6H10O
SMILES
CC1CC(=O)C1C
InChI
InChI=1S/C6H10O/c1-4-3-6(7)5(4)2/h4-5H,3H2,1-2H3
InChIKey
GLVGZXHESDAIMP-UHFFFAOYSA-N
Compound name
2,3-dimethylcyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

98.073166 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.080442 117.0
[M+Na]+ 121.06238 124.5
[M+NH4]+ 116.10699 122.2
[M+K]+ 137.03632 120.9
[M-H]- 97.065890 115.9
[M+Na-2H]- 119.04783 120.0
[M]+ 98.072617 116.5
[M]- 98.073715 116.5
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