CID 92042976

1-ethynylcyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C7H8O2
SMILES
C#CC1(CCC1)C(=O)O
InChI
InChI=1S/C7H8O2/c1-2-7(6(8)9)4-3-5-7/h1H,3-5H2,(H,8,9)
InChIKey
YFBPPOIMRMPOME-UHFFFAOYSA-N
Compound name
1-ethynylcyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

124.05243 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.059706 122.6
[M+Na]+ 147.041648 131.0
[M-H]- 123.045154 124.5
[M+NH4]+ 142.086253 137.8
[M+K]+ 163.015588 132.2
[M+H-H2O]+ 107.049690 109.4
[M+HCOO]- 169.050631 137.8
[M+CH3COO]- 183.066281 180.3
[M+Na-2H]- 145.027096 128.0
[M]+ 124.05188142 123.8
[M]- 124.05297858 123.8
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.