CID 73977874

3-ethyl-3-ethynyloxetane

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

110.073166 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.080442 111.6
[M+Na]+ 133.062384 120.6
[M-H]- 109.065890 115.2
[M+NH4]+ 128.106989 127.2
[M+K]+ 149.036324 123.3
[M+H-H2O]+ 93.070426 98.4
[M+HCOO]- 155.071367 128.1
[M+CH3COO]- 169.087017 180.9
[M+Na-2H]- 131.047832 120.3
[M]+ 110.07261742 115.1
[M]- 110.07371458 115.1
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