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]+ 153.090996 126.6
[M+Na]+ 175.072938 133.7
[M-H]- 151.076444 128.9
[M+NH4]+ 170.117543 139.8
[M+K]+ 191.046878 135.9
[M+H-H2O]+ 135.080980 111.5
[M+HCOO]- 197.081921 142.5
[M+CH3COO]- 211.097571 186.5
[M+Na-2H]- 173.058386 130.7
[M]+ 152.08317142 129.5
[M]- 152.08426858 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