CID 15199

2-methylcyclobutan-1-one

Structural Information

Molecular Formula
C5H8O
SMILES
CC1CCC1=O
InChI
InChI=1S/C5H8O/c1-4-2-3-5(4)6/h4H,2-3H2,1H3
InChIKey
YQENJRQBTHILBT-UHFFFAOYSA-N
Compound name
2-methylcyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

199
Patents

84.05752 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 85.064796 112.6
[M+Na]+ 107.04674 119.9
[M+NH4]+ 102.09134 118.0
[M+K]+ 123.02068 116.4
[M-H]- 83.050244 111.5
[M+Na-2H]- 105.03219 116.1
[M]+ 84.056971 112.1
[M]- 84.058069 112.1
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