CID 141730905

Ethyl 3-cyclobutylprop-2-ynoate

Structural Information

Molecular Formula
C9H12O2
SMILES
CCOC(=O)C#CC1CCC1
InChI
InChI=1S/C9H12O2/c1-2-11-9(10)7-6-8-4-3-5-8/h8H,2-5H2,1H3
InChIKey
JSZHGQFEHLWEEU-UHFFFAOYSA-N
Compound name
ethyl 3-cyclobutylprop-2-ynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

152.08372 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.09100 126.6
[M+Na]+ 175.07294 133.7
[M-H]- 151.07644 128.9
[M+NH4]+ 170.11754 139.8
[M+K]+ 191.04688 135.9
[M+H-H2O]+ 135.08098 111.5
[M+HCOO]- 197.08192 142.5
[M+CH3COO]- 211.09757 186.5
[M+Na-2H]- 173.05839 130.7
[M]+ 152.08317 129.5
[M]- 152.08427 129.5
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