CID 55301776

Lithium(1+) 3-hydroxypent-4-ynoate

Structural Information

Molecular Formula
C5H6O3
SMILES
C#CC(CC(=O)O)O
InChI
InChI=1S/C5H6O3/c1-2-4(6)3-5(7)8/h1,4,6H,3H2,(H,7,8)
InChIKey
ROBNOQIXEHAIPS-UHFFFAOYSA-N
Compound name
3-hydroxypent-4-ynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

114.03169 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.038966 122.3
[M+Na]+ 137.020908 131.3
[M-H]- 113.024414 119.9
[M+NH4]+ 132.065513 141.2
[M+K]+ 152.994848 130.2
[M+H-H2O]+ 97.028950 112.5
[M+HCOO]- 159.029891 137.2
[M+CH3COO]- 173.045541 173.9
[M+Na-2H]- 135.006356 125.8
[M]+ 114.03114142 116.0
[M]- 114.03223858 116.0
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

patents stripe