CID 64535384

3-(oxolan-3-yl)prop-2-ynoic acid

Structural Information

Molecular Formula
C7H8O3
SMILES
C1COCC1C#CC(=O)O
InChI
InChI=1S/C7H8O3/c8-7(9)2-1-6-3-4-10-5-6/h6H,3-5H2,(H,8,9)
InChIKey
UGQFNGGKPGZPBZ-UHFFFAOYSA-N
Compound name
3-(oxolan-3-yl)prop-2-ynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.04735 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.05463 129.4
[M+Na]+ 163.03657 138.3
[M+NH4]+ 158.08117 133.3
[M+K]+ 179.01051 133.0
[M-H]- 139.04007 122.2
[M+Na-2H]- 161.02202 129.5
[M]+ 140.04680 127.5
[M]- 140.04790 127.5
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.