CID 20644245

4-methoxy-3-methylbut-1-yne

Structural Information

Molecular Formula
C6H10O
SMILES
CC(COC)C#C
InChI
InChI=1S/C6H10O/c1-4-6(2)5-7-3/h1,6H,5H2,2-3H3
InChIKey
LWVMLGUPGSPJRO-UHFFFAOYSA-N
Compound name
4-methoxy-3-methylbut-1-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

98.073166 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.080442 118.2
[M+Na]+ 121.06238 129.0
[M+NH4]+ 116.10699 123.2
[M+K]+ 137.03632 120.9
[M-H]- 97.065890 110.4
[M+Na-2H]- 119.04783 120.2
[M]+ 98.072617 116.6
[M]- 98.073715 116.6
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