CID 10110

Propiolic acid

Structural Information

Molecular Formula

C₃H₂O₂

SMILES

C#CC(=O)O

InChI

InChI=1S/C3H2O2/c1-2-3(4)5/h1H,(H,4,5)

InChIKey

UORVCLMRJXCDCP-UHFFFAOYSA-N

Compound name

prop-2-ynoic acid

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 102
References: 45884
Patents: 70.00548 Da
Monoisotopic Mass: 0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	71.012756	109.1
[M+Na]+	92.994698	119.6
[M-H]-	68.998204	108.4
[M+NH4]+	88.039303	130.4
[M+K]+	108.96864	118.9
[M+H-H2O]+	53.002740	99.7
[M+HCOO]-	115.00368	126.7
[M+CH3COO]-	129.01933	168.2
[M+Na-2H]-	90.980146	115.5
[M]+	70.004931	103.3
[M]-	70.006029	103.3

Literature stripe

literature stripe

Patent stripe

patents stripe