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 131.8
[M+Na]+ 177.05221 141.6
[M-H]- 153.05571 133.4
[M+NH4]+ 172.09681 152.1
[M+K]+ 193.02615 139.0
[M+H-H2O]+ 137.06025 121.8
[M+HCOO]- 199.06119 146.9
[M+CH3COO]- 213.07684 178.4
[M+Na-2H]- 175.03766 136.4
[M]+ 154.06244 125.4
[M]- 154.06354 125.4
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.