CID 110154

(3-((2-aminoethyl)amino)propyl)silanetriol

Structural Information

Molecular Formula

C₅H₁₆N₂O₃Si

SMILES

C(CNCCN)C[Si](O)(O)O

InChI

InChI=1S/C5H16N2O3Si/c6-2-4-7-3-1-5-11(8,9)10/h7-10H,1-6H2

InChIKey

QNHNSPNFZFBEQR-UHFFFAOYSA-N

Compound name

N'-(3-trihydroxysilylpropyl)ethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1238
Patents: 180.09302 Da
Monoisotopic Mass: None
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]+	181.10030	138.0
[M+Na]+	203.08224	142.4
[M-H]-	179.08574	133.3
[M+NH4]+	198.12684	155.5
[M+K]+	219.05618	140.7
[M+H-H2O]+	163.09028	133.0
[M+HCOO]-	225.09122	157.6
[M+CH3COO]-	239.10687	175.5
[M+Na-2H]-	201.06769	143.3
[M]+	180.09247	134.6
[M]-	180.09357	134.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe