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

292
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 109.5
[M+Na]+ 107.046738 116.9
[M-H]- 83.050244 113.7
[M+NH4]+ 102.091343 127.3
[M+K]+ 123.020678 119.8
[M+H-H2O]+ 67.054780 100.8
[M+HCOO]- 129.055721 132.5
[M+CH3COO]- 143.071371 168.2
[M+Na-2H]- 105.032186 116.7
[M]+ 84.05697142 117.4
[M]- 84.05806858 117.4
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