CID 8282

115-70-8

Structural Information

Molecular Formula

C₅H₁₃NO₂

SMILES

CCC(CO)(CO)N

InChI

InChI=1S/C5H13NO2/c1-2-5(6,3-7)4-8/h7-8H,2-4,6H2,1H3

InChIKey

IOAOAKDONABGPZ-UHFFFAOYSA-N

Compound name

2-amino-2-ethylpropane-1,3-diol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 7
References: 12149
Patents: 119.09463 Da
Monoisotopic Mass: -1.3
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]+	120.10191	124.3
[M+Na]+	142.08385	132.1
[M+NH4]+	137.12845	131.0
[M+K]+	158.05779	128.9
[M-H]-	118.08735	122.2
[M+Na-2H]-	140.06930	126.6
[M]+	119.09408	124.4
[M]-	119.09518	124.4

Literature stripe

literature stripe

Patent stripe

patents stripe