CID 28063525

915923-96-5

Structural Information

Molecular Formula

C₉H₂₀N₂O

SMILES

CNCC1CCN(CC1)CCO

InChI

InChI=1S/C9H20N2O/c1-10-8-9-2-4-11(5-3-9)6-7-12/h9-10,12H,2-8H2,1H3

InChIKey

RXCPBQXAPWOOKT-UHFFFAOYSA-N

Compound name

2-[4-(methylaminomethyl)piperidin-1-yl]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 172.15756 Da
Monoisotopic Mass: -0.1
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]+	173.164836	141.4
[M+Na]+	195.146778	145.3
[M-H]-	171.150284	141.2
[M+NH4]+	190.191383	159.4
[M+K]+	211.120718	143.5
[M+H-H2O]+	155.154820	134.7
[M+HCOO]-	217.155761	160.0
[M+CH3COO]-	231.171411	180.4
[M+Na-2H]-	193.132226	145.7
[M]+	172.15701142	136.7
[M]-	172.15810858	136.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe