CID 126970337

2-(1-ethynylcyclobutoxy)acetic acid

Structural Information

Molecular Formula
C8H10O3
SMILES
C#CC1(CCC1)OCC(=O)O
InChI
InChI=1S/C8H10O3/c1-2-8(4-3-5-8)11-6-7(9)10/h1H,3-6H2,(H,9,10)
InChIKey
CQEJLSXRXMESQZ-UHFFFAOYSA-N
Compound name
2-(1-ethynylcyclobutyl)oxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.06299 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.07027 128.4
[M+Na]+ 177.05221 136.1
[M-H]- 153.05571 130.0
[M+NH4]+ 172.09681 142.4
[M+K]+ 193.02615 137.7
[M+H-H2O]+ 137.06025 114.7
[M+HCOO]- 199.06119 143.4
[M+CH3COO]- 213.07684 184.6
[M+Na-2H]- 175.03766 133.3
[M]+ 154.06244 131.2
[M]- 154.06354 131.2
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.