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]+ 125.05971 122.6
[M+Na]+ 147.04165 131.0
[M-H]- 123.04515 124.5
[M+NH4]+ 142.08625 137.8
[M+K]+ 163.01559 132.2
[M+H-H2O]+ 107.04969 109.4
[M+HCOO]- 169.05063 137.8
[M+CH3COO]- 183.06628 180.3
[M+Na-2H]- 145.02710 128.0
[M]+ 124.05188 123.8
[M]- 124.05298 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.