CID 11355505

7332-39-0

Structural Information

Molecular Formula

C₅H₁₃NO₃

SMILES

C(C(CO)(CO)CO)N

InChI

InChI=1S/C5H13NO3/c6-1-5(2-7,3-8)4-9/h7-9H,1-4,6H2

InChIKey

QHQZEEGNGSZBOL-UHFFFAOYSA-N

Compound name

2-(aminomethyl)-2-(hydroxymethyl)propane-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2625
Patents: 135.08954 Da
Monoisotopic Mass: -2.7
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]+	136.096816	129.3
[M+Na]+	158.078758	135.1
[M-H]-	134.082264	125.0
[M+NH4]+	153.123363	148.5
[M+K]+	174.052698	133.7
[M+H-H2O]+	118.086800	125.3
[M+HCOO]-	180.087741	148.3
[M+CH3COO]-	194.103391	167.0
[M+Na-2H]-	156.064206	135.0
[M]+	135.08899142	126.4
[M]-	135.09008858	126.4

Literature stripe

literature stripe

Patent stripe

patents stripe