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]+ 155.070266 131.2
[M+Na]+ 177.052208 140.8
[M-H]- 153.055714 132.7
[M+NH4]+ 172.096813 151.3
[M+K]+ 193.026148 138.1
[M+H-H2O]+ 137.060250 121.1
[M+HCOO]- 199.061191 146.2
[M+CH3COO]- 213.076841 179.6
[M+Na-2H]- 175.037656 135.7
[M]+ 154.06244142 124.9
[M]- 154.06353858 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.