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]+ 153.09100 128.2
[M+Na]+ 175.07294 136.3
[M-H]- 151.07644 131.1
[M+NH4]+ 170.11754 143.2
[M+K]+ 191.04688 137.8
[M+H-H2O]+ 135.08098 114.5
[M+HCOO]- 197.08192 144.2
[M+CH3COO]- 211.09757 187.3
[M+Na-2H]- 173.05839 133.3
[M]+ 152.08317 131.7
[M]- 152.08427 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.