CID 121392883

1-ethynyl-3-(methoxymethyl)cyclobutane

Structural Information

Molecular Formula
C8H12O
SMILES
COCC1CC(C1)C#C
InChI
InChI=1S/C8H12O/c1-3-7-4-8(5-7)6-9-2/h1,7-8H,4-6H2,2H3
InChIKey
KDASSQVIAUUIHA-UHFFFAOYSA-N
Compound name
1-ethynyl-3-(methoxymethyl)cyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

124.08881 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.096086 116.8
[M+Na]+ 147.078028 125.2
[M-H]- 123.081534 119.6
[M+NH4]+ 142.122633 131.4
[M+K]+ 163.051968 127.3
[M+H-H2O]+ 107.086070 102.5
[M+HCOO]- 169.087011 133.7
[M+CH3COO]- 183.102661 185.0
[M+Na-2H]- 145.063476 122.4
[M]+ 124.08826142 120.1
[M]- 124.08935858 120.1
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