CID 11105359

3-ethynylcyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C7H8O2
SMILES
C#CC1CC(C1)C(=O)O
InChI
InChI=1S/C7H8O2/c1-2-5-3-6(4-5)7(8)9/h1,5-6H,3-4H2,(H,8,9)
InChIKey
XJHVFKCXYHNJBJ-UHFFFAOYSA-N
Compound name
3-ethynylcyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

124.05243 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.05971 119.7
[M+Na]+ 147.04165 127.7
[M-H]- 123.04515 121.4
[M+NH4]+ 142.08625 133.3
[M+K]+ 163.01559 129.7
[M+H-H2O]+ 107.04969 105.4
[M+HCOO]- 169.05063 134.8
[M+CH3COO]- 183.06628 181.6
[M+Na-2H]- 145.02710 123.6
[M]+ 124.05188 120.9
[M]- 124.05298 120.9
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.