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

8
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]+ 119.046738 131.6
[M-H]- 95.050244 121.2
[M+NH4]+ 114.091343 135.3
[M+K]+ 135.020678 126.9
[M+H-H2O]+ 79.054780 107.8
[M+HCOO]- 141.055721 135.6
[M+CH3COO]- 155.071371 179.0
[M+Na-2H]- 117.032186 124.9
[M]+ 96.05697142 115.3
[M]- 96.05806858 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