CID 171036022

Cyclobutanone, 3-ethynyl-3-methyl-

Structural Information

Molecular Formula
C7H8O
SMILES
CC1(CC(=O)C1)C#C
InChI
InChI=1S/C7H8O/c1-3-7(2)4-6(8)5-7/h1H,4-5H2,2H3
InChIKey
AFGGUCCSJHNYHB-UHFFFAOYSA-N
Compound name
3-ethynyl-3-methylcyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

108.05752 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 109.06480 114.6
[M+Na]+ 131.04674 124.6
[M-H]- 107.05024 118.2
[M+NH4]+ 126.09134 131.6
[M+K]+ 147.02068 125.8
[M+H-H2O]+ 91.054780 101.9
[M+HCOO]- 153.05572 132.0
[M+CH3COO]- 167.07137 181.2
[M+Na-2H]- 129.03219 121.5
[M]+ 108.05697 117.3
[M]- 108.05807 117.3
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

No patent data available for this compound.