CID 56831576

1219957-18-2

Structural Information

Molecular Formula

C₈H₁₈N₂O

SMILES

CN(CCO)C1CCCNC1

InChI

InChI=1S/C8H18N2O/c1-10(5-6-11)8-3-2-4-9-7-8/h8-9,11H,2-7H2,1H3

InChIKey

MIXJRLLNAMRWSN-UHFFFAOYSA-N

Compound name

2-[methyl(piperidin-3-yl)amino]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
Patents: 158.1419 Da
Monoisotopic Mass: -0.3
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]+	159.14918	137.5
[M+Na]+	181.13112	140.6
[M-H]-	157.13462	137.2
[M+NH4]+	176.17572	155.7
[M+K]+	197.10506	139.6
[M+H-H2O]+	141.13916	130.8
[M+HCOO]-	203.14010	155.4
[M+CH3COO]-	217.15575	177.1
[M+Na-2H]-	179.11657	141.8
[M]+	158.14135	131.4
[M]-	158.14245	131.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe