CID 80173191

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

Structural Information

Molecular Formula
C8H10O3
SMILES
CC1(CCCO1)C#CC(=O)O
InChI
InChI=1S/C8H10O3/c1-8(4-2-6-11-8)5-3-7(9)10/h2,4,6H2,1H3,(H,9,10)
InChIKey
RHBDGAWPYLUHKN-UHFFFAOYSA-N
Compound name
3-(2-methyloxolan-2-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 131.1
[M+Na]+ 177.05221 140.0
[M+NH4]+ 172.09681 136.1
[M+K]+ 193.02615 133.1
[M-H]- 153.05571 123.8
[M+Na-2H]- 175.03766 132.5
[M]+ 154.06244 129.3
[M]- 154.06354 129.3
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.