CID 117273617

Schembl19608959

Structural Information

Molecular Formula

C₅H₁₃NO₂

SMILES

COCC(CN)CO

InChI

InChI=1S/C5H13NO2/c1-8-4-5(2-6)3-7/h5,7H,2-4,6H2,1H3

InChIKey

FBEAGGCMOIYUDI-UHFFFAOYSA-N

Compound name

2-(aminomethyl)-3-methoxypropan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
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	126.0
[M+Na]+	142.08385	132.0
[M-H]-	118.08735	124.4
[M+NH4]+	137.12845	147.2
[M+K]+	158.05779	132.1
[M+H-H2O]+	102.09189	121.2
[M+HCOO]-	164.09283	148.4
[M+CH3COO]-	178.10848	170.4
[M+Na-2H]-	140.06930	130.8
[M]+	119.09408	125.3
[M]-	119.09518	125.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe