CID 171036923

3-ethynyl-3-(methoxymethyl)cyclobutan-1-one

Structural Information

Molecular Formula
C8H10O2
SMILES
COCC1(CC(=O)C1)C#C
InChI
InChI=1S/C8H10O2/c1-3-8(6-10-2)4-7(9)5-8/h1H,4-6H2,2H3
InChIKey
ZMBXOPRQOWHZGF-UHFFFAOYSA-N
Compound name
3-ethynyl-3-(methoxymethyl)cyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

138.06808 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.075356 120.6
[M+Na]+ 161.057298 130.1
[M-H]- 137.060804 124.0
[M+NH4]+ 156.101903 136.4
[M+K]+ 177.031238 131.6
[M+H-H2O]+ 121.065340 107.5
[M+HCOO]- 183.066281 137.9
[M+CH3COO]- 197.081931 185.5
[M+Na-2H]- 159.042746 127.0
[M]+ 138.06753142 124.9
[M]- 138.06862858 124.9
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.