CID 13273090

67435-00-1

Structural Information

Molecular Formula

SMILES

C(C(CON)O)O

InChI

InChI=1S/C3H9NO3/c4-7-2-3(6)1-5/h3,5-6H,1-2,4H2

InChIKey

LHTDOTAGCRFCTB-UHFFFAOYSA-N

Compound name

3-aminooxypropane-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1041
Patents: 107.05824 Da
Monoisotopic Mass: -2.0
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]+	108.06552	120.0
[M+Na]+	130.04746	126.3
[M-H]-	106.05096	117.2
[M+NH4]+	125.09206	140.8
[M+K]+	146.02140	126.4
[M+H-H2O]+	90.055500	115.5
[M+HCOO]-	152.05644	141.7
[M+CH3COO]-	166.07209	163.9
[M+Na-2H]-	128.03291	125.3
[M]+	107.05769	118.0
[M]-	107.05879	118.0

Literature stripe

literature stripe

Patent stripe

patents stripe