CID 91501293

1-ethynyl-1-methoxycyclopropane

Structural Information

Molecular Formula
C6H8O
SMILES
COC1(CC1)C#C
InChI
InChI=1S/C6H8O/c1-3-6(7-2)4-5-6/h1H,4-5H2,2H3
InChIKey
BBQJMAFFEIERNK-UHFFFAOYSA-N
Compound name
1-ethynyl-1-methoxycyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

96.05752 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 97.064796 115.0
[M+Na]+ 119.04674 131.6
[M-H]- 95.050244 121.2
[M+NH4]+ 114.09134 135.3
[M+K]+ 135.02068 126.9
[M+H-H2O]+ 79.054780 107.8
[M+HCOO]- 141.05572 135.6
[M+CH3COO]- 155.07137 179.0
[M+Na-2H]- 117.03219 124.9
[M]+ 96.056971 115.3
[M]- 96.058069 115.3
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