CID 130609950

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

Structural Information

Molecular Formula
C8H10O3
SMILES
C#CCC1(CCCO1)C(=O)O
InChI
InChI=1S/C8H10O3/c1-2-4-8(7(9)10)5-3-6-11-8/h1H,3-6H2,(H,9,10)
InChIKey
MDFNKHNLBNSJLV-UHFFFAOYSA-N
Compound name
2-prop-2-ynyloxolane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.06299 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.07027 130.8
[M+Na]+ 177.05221 139.6
[M+NH4]+ 172.09681 135.8
[M+K]+ 193.02615 132.8
[M-H]- 153.05571 123.5
[M+Na-2H]- 175.03766 132.2
[M]+ 154.06244 129.0
[M]- 154.06354 129.0
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.