CID 91805671

1-ethynyl-1-methoxycyclobutane

Structural Information

Molecular Formula
C7H10O
SMILES
COC1(CCC1)C#C
InChI
InChI=1S/C7H10O/c1-3-7(8-2)5-4-6-7/h1H,4-6H2,2H3
InChIKey
PWZJWTKVMXPROY-UHFFFAOYSA-N
Compound name
1-ethynyl-1-methoxycyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

110.073166 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.08044 115.4
[M+Na]+ 133.06238 124.4
[M-H]- 109.06589 118.6
[M+NH4]+ 128.10699 132.1
[M+K]+ 149.03632 126.0
[M+H-H2O]+ 93.070426 102.2
[M+HCOO]- 155.07137 132.6
[M+CH3COO]- 169.08702 181.1
[M+Na-2H]- 131.04783 122.9
[M]+ 110.07262 118.3
[M]- 110.07371 118.3
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