CID 4913256

3-methoxy-3-methylbut-1-yne

Structural Information

Molecular Formula
C6H10O
SMILES
CC(C)(C#C)OC
InChI
InChI=1S/C6H10O/c1-5-6(2,3)7-4/h1H,2-4H3
InChIKey
ZYDXBIXQPLRRIK-UHFFFAOYSA-N
Compound name
3-methoxy-3-methylbut-1-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

332
Patents

98.073166 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.080442 119.3
[M+Na]+ 121.06238 129.4
[M-H]- 97.065890 119.7
[M+NH4]+ 116.10699 140.6
[M+K]+ 137.03632 128.9
[M+H-H2O]+ 81.070426 109.9
[M+HCOO]- 143.07137 136.5
[M+CH3COO]- 157.08702 177.5
[M+Na-2H]- 119.04783 126.4
[M]+ 98.072617 115.7
[M]- 98.073715 115.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe