CID 23366185

3-methoxypent-1-yne

Structural Information

Molecular Formula
C6H10O
SMILES
CCC(C#C)OC
InChI
InChI=1S/C6H10O/c1-4-6(5-2)7-3/h1,6H,5H2,2-3H3
InChIKey
UNAXZJARXXCLJO-UHFFFAOYSA-N
Compound name
3-methoxypent-1-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

98.073166 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.080442 117.2
[M+Na]+ 121.062384 126.8
[M-H]- 97.065890 117.3
[M+NH4]+ 116.106989 138.4
[M+K]+ 137.036324 126.2
[M+H-H2O]+ 81.070426 107.3
[M+HCOO]- 143.071367 135.0
[M+CH3COO]- 157.087017 178.0
[M+Na-2H]- 119.047832 122.9
[M]+ 98.07261742 113.5
[M]- 98.07371458 113.5
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