CID 165945592

Ethyl 1-ethynylcyclobutane-1-carboxylate

Structural Information

Molecular Formula
C9H12O2
SMILES
CCOC(=O)C1(CCC1)C#C
InChI
InChI=1S/C9H12O2/c1-3-9(6-5-7-9)8(10)11-4-2/h1H,4-7H2,2H3
InChIKey
CKYQOECWYIZSFJ-UHFFFAOYSA-N
Compound name
ethyl 1-ethynylcyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.08372 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.090996 128.2
[M+Na]+ 175.072938 136.3
[M-H]- 151.076444 131.1
[M+NH4]+ 170.117543 143.2
[M+K]+ 191.046878 137.8
[M+H-H2O]+ 135.080980 114.5
[M+HCOO]- 197.081921 144.2
[M+CH3COO]- 211.097571 187.3
[M+Na-2H]- 173.058386 133.3
[M]+ 152.08317142 131.7
[M]- 152.08426858 131.7
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

No patent data available for this compound.