CID 62385551

1250665-15-6

Structural Information

Molecular Formula

C₉H₁₉NO₂

SMILES

C1COCCC1CC(CN)CO

InChI

InChI=1S/C9H19NO2/c10-6-9(7-11)5-8-1-3-12-4-2-8/h8-9,11H,1-7,10H2

InChIKey

NCSSBBDDRXAFRC-UHFFFAOYSA-N

Compound name

2-(aminomethyl)-3-(oxan-4-yl)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 173.14159 Da
Monoisotopic Mass: -0.2
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]+	174.148866	141.9
[M+Na]+	196.130808	144.6
[M-H]-	172.134314	142.9
[M+NH4]+	191.175413	159.1
[M+K]+	212.104748	144.3
[M+H-H2O]+	156.138850	135.7
[M+HCOO]-	218.139791	159.4
[M+CH3COO]-	232.155441	178.9
[M+Na-2H]-	194.116256	145.4
[M]+	173.14104142	136.6
[M]-	173.14213858	136.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe