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

18
Patents

124.08881 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.09609 116.8
[M+Na]+ 147.07803 125.2
[M-H]- 123.08153 119.6
[M+NH4]+ 142.12263 131.4
[M+K]+ 163.05197 127.3
[M+H-H2O]+ 107.08607 102.5
[M+HCOO]- 169.08701 133.7
[M+CH3COO]- 183.10266 185.0
[M+Na-2H]- 145.06348 122.4
[M]+ 124.08826 120.1
[M]- 124.08936 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