CID 79420823

3-(prop-2-yn-1-yl)oxolane-3-carboxylic acid

Structural Information

Molecular Formula
C8H10O3
SMILES
C#CCC1(CCOC1)C(=O)O
InChI
InChI=1S/C8H10O3/c1-2-3-8(7(9)10)4-5-11-6-8/h1H,3-6H2,(H,9,10)
InChIKey
NPVOTZROLTXESN-UHFFFAOYSA-N
Compound name
3-prop-2-ynyloxolane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.06299 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.07027 131.2
[M+Na]+ 177.05221 140.8
[M-H]- 153.05571 132.7
[M+NH4]+ 172.09681 151.3
[M+K]+ 193.02615 138.1
[M+H-H2O]+ 137.06025 121.1
[M+HCOO]- 199.06119 146.2
[M+CH3COO]- 213.07684 179.6
[M+Na-2H]- 175.03766 135.7
[M]+ 154.06244 124.9
[M]- 154.06354 124.9
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.