CID 440955

Titanium (iii) citrate

Structural Information

Molecular Formula

C₆H₁₄O₇

SMILES

C(C(O)O)C(CC(O)O)(C(O)O)O

InChI

InChI=1S/C6H14O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h3-5,7-13H,1-2H2

InChIKey

SQKCGPGTPCENAH-UHFFFAOYSA-N

Compound name

3-(dihydroxymethyl)pentane-1,1,3,5,5-pentol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 198.07396 Da
Monoisotopic Mass: -3.5
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]+	199.08124	141.7
[M+Na]+	221.06318	145.0
[M-H]-	197.06668	132.1
[M+NH4]+	216.10778	155.4
[M+K]+	237.03712	144.3
[M+H-H2O]+	181.07122	137.8
[M+HCOO]-	243.07216	151.8
[M+CH3COO]-	257.08781	168.4
[M+Na-2H]-	219.04863	142.2
[M]+	198.07341	137.3
[M]-	198.07451	137.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe