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

7
Patents

124.08881 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.096086 119.4
[M+Na]+ 147.078028 128.1
[M-H]- 123.081534 122.5
[M+NH4]+ 142.122633 135.6
[M+K]+ 163.051968 129.4
[M+H-H2O]+ 107.086070 106.1
[M+HCOO]- 169.087011 136.3
[M+CH3COO]- 183.102661 183.7
[M+Na-2H]- 145.063476 126.4
[M]+ 124.08826142 122.7
[M]- 124.08935858 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