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

8
Patents

110.073166 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.080442 115.4
[M+Na]+ 133.062384 124.4
[M-H]- 109.065890 118.6
[M+NH4]+ 128.106989 132.1
[M+K]+ 149.036324 126.0
[M+H-H2O]+ 93.070426 102.2
[M+HCOO]- 155.071367 132.6
[M+CH3COO]- 169.087017 181.1
[M+Na-2H]- 131.047832 122.9
[M]+ 110.07261742 118.3
[M]- 110.07371458 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