CID 165758765

1-ethynyl-1-(methoxymethyl)cyclobutane

Structural Information

Molecular Formula
C8H12O
SMILES
COCC1(CCC1)C#C
InChI
InChI=1S/C8H12O/c1-3-8(7-9-2)5-4-6-8/h1H,4-7H2,2H3
InChIKey
SUQGGCGZCFPUKO-UHFFFAOYSA-N
Compound name
1-ethynyl-1-(methoxymethyl)cyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

124.08881 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.09609 119.4
[M+Na]+ 147.07803 128.1
[M-H]- 123.08153 122.5
[M+NH4]+ 142.12263 135.6
[M+K]+ 163.05197 129.4
[M+H-H2O]+ 107.08607 106.1
[M+HCOO]- 169.08701 136.3
[M+CH3COO]- 183.10266 183.7
[M+Na-2H]- 145.06348 126.4
[M]+ 124.08826 122.7
[M]- 124.08936 122.7
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

patents stripe