CID 64534994

3-cyclobutylprop-2-ynoic acid

Structural Information

Molecular Formula
C7H8O2
SMILES
C1CC(C1)C#CC(=O)O
InChI
InChI=1S/C7H8O2/c8-7(9)5-4-6-2-1-3-6/h6H,1-3H2,(H,8,9)
InChIKey
RFXMDDWVFDYRIS-UHFFFAOYSA-N
Compound name
3-cyclobutylprop-2-ynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

124.05243 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.059706 120.7
[M+Na]+ 147.041648 128.1
[M-H]- 123.045154 122.1
[M+NH4]+ 142.086253 134.2
[M+K]+ 163.015588 130.0
[M+H-H2O]+ 107.049690 106.1
[M+HCOO]- 169.050631 135.8
[M+CH3COO]- 183.066281 179.5
[M+Na-2H]- 145.027096 125.2
[M]+ 124.05188142 121.4
[M]- 124.05297858 121.4
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