CID 162304

38402-02-7

Structural Information

Molecular Formula

C₆H₁₆NO₂

SMILES

C[N+](C)(CCO)CCO

InChI

InChI=1S/C6H16NO2/c1-7(2,3-5-8)4-6-9/h8-9H,3-6H2,1-2H3/q+1

InChIKey

FIVJMCNNMIGYRO-UHFFFAOYSA-N

Compound name

bis(2-hydroxyethyl)-dimethylazanium

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 4736
Patents: 134.1181 Da
Monoisotopic Mass: -1.1
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]+	135.12538	126.5
[M+Na]+	157.10732	133.0
[M-H]-	133.11082	125.9
[M+NH4]+	152.15192	147.7
[M+K]+	173.08126	127.4
[M+H-H2O]+	117.11536	125.5
[M+HCOO]-	179.11630	148.4
[M+CH3COO]-	193.13195	166.7
[M+Na-2H]-	155.09277	136.6
[M]+	134.11755	125.8
[M]-	134.11865	125.8

Literature stripe

literature stripe

Patent stripe

patents stripe