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

36
Patents

110.073166 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.08044 111.6
[M+Na]+ 133.06238 120.6
[M-H]- 109.06589 115.2
[M+NH4]+ 128.10699 127.2
[M+K]+ 149.03632 123.3
[M+H-H2O]+ 93.070426 98.4
[M+HCOO]- 155.07137 128.1
[M+CH3COO]- 169.08702 180.9
[M+Na-2H]- 131.04783 120.3
[M]+ 110.07262 115.1
[M]- 110.07371 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