CID 71112

Foscolic acid

Structural Information

Molecular Formula

C₆H₁₁O₈P

SMILES

CC(C(=O)O)(O)P(=O)(C(C)(C(=O)O)O)O

InChI

InChI=1S/C6H11O8P/c1-5(11,3(7)8)15(13,14)6(2,12)4(9)10/h11-12H,1-2H3,(H,7,8)(H,9,10)(H,13,14)

InChIKey

RBMHUYBJIYNRLY-UHFFFAOYSA-N

Compound name

2-[(1-carboxy-1-hydroxyethyl)-hydroxyphosphoryl]-2-hydroxypropanoic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 4309
Patents: 242.01915 Da
Monoisotopic Mass: -2.6
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]+	243.026426	148.7
[M+Na]+	265.008368	153.8
[M-H]-	241.011874	141.3
[M+NH4]+	260.052973	139.9
[M+K]+	280.982308	154.1
[M+H-H2O]+	225.016410	143.6
[M+HCOO]-	287.017351	165.6
[M+CH3COO]-	301.033001	179.2
[M+Na-2H]-	262.993816	152.0
[M]+	242.01860142	148.4
[M]-	242.01969858	148.4

Literature stripe

literature stripe

Patent stripe

patents stripe