CID 64535189

3-(oxan-4-yl)prop-2-ynoic acid

Structural Information

Molecular Formula
C8H10O3
SMILES
C1COCCC1C#CC(=O)O
InChI
InChI=1S/C8H10O3/c9-8(10)2-1-7-3-5-11-6-4-7/h7H,3-6H2,(H,9,10)
InChIKey
JIYZTYVNTDNDHG-UHFFFAOYSA-N
Compound name
3-(oxan-4-yl)prop-2-ynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.06299 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.07027 130.4
[M+Na]+ 177.05221 138.1
[M-H]- 153.05571 131.4
[M+NH4]+ 172.09681 147.1
[M+K]+ 193.02615 136.2
[M+H-H2O]+ 137.06025 119.3
[M+HCOO]- 199.06119 143.5
[M+CH3COO]- 213.07684 179.1
[M+Na-2H]- 175.03766 135.0
[M]+ 154.06244 121.8
[M]- 154.06354 121.8
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.