CID 171036923

Cyclobutanone, 3-ethynyl-3-(methoxymethyl)-

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]+ 139.07536 120.6
[M+Na]+ 161.05730 130.1
[M-H]- 137.06080 124.0
[M+NH4]+ 156.10190 136.4
[M+K]+ 177.03124 131.6
[M+H-H2O]+ 121.06534 107.5
[M+HCOO]- 183.06628 137.9
[M+CH3COO]- 197.08193 185.5
[M+Na-2H]- 159.04275 127.0
[M]+ 138.06753 124.9
[M]- 138.06863 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.