CID 62014

Troysan 192

Structural Information

Molecular Formula

C₅H₁₃NO₂

SMILES

CC(C)(CO)NCO

InChI

InChI=1S/C5H13NO2/c1-5(2,3-7)6-4-8/h6-8H,3-4H2,1-2H3

InChIKey

RGDPCZKNNXHAIU-UHFFFAOYSA-N

Compound name

2-(hydroxymethylamino)-2-methylpropan-1-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 547
Patents: 119.09463 Da
Monoisotopic Mass: -0.9
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]+	120.101906	125.7
[M+Na]+	142.083848	132.1
[M-H]-	118.087354	123.5
[M+NH4]+	137.128453	146.7
[M+K]+	158.057788	131.4
[M+H-H2O]+	102.091890	121.9
[M+HCOO]-	164.092831	146.7
[M+CH3COO]-	178.108481	167.9
[M+Na-2H]-	140.069296	133.1
[M]+	119.09408142	124.3
[M]-	119.09517858	124.3

Literature stripe

literature stripe

Patent stripe

patents stripe