CID 19777019

127090-71-5

Structural Information

Molecular Formula

C₇H₁₈N₂O₂

SMILES

CC(C)(OCCN)OCCN

InChI

InChI=1S/C7H18N2O2/c1-7(2,10-5-3-8)11-6-4-9/h3-6,8-9H2,1-2H3

InChIKey

YDMYVTCIPQGGPB-UHFFFAOYSA-N

Compound name

2-[2-(2-aminoethoxy)propan-2-yloxy]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 205
Patents: 162.13683 Da
Monoisotopic Mass: -1.2
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]+	163.14411	137.5
[M+Na]+	185.12605	142.9
[M-H]-	161.12955	136.6
[M+NH4]+	180.17065	157.3
[M+K]+	201.09999	142.9
[M+H-H2O]+	145.13409	132.2
[M+HCOO]-	207.13503	160.6
[M+CH3COO]-	221.15068	183.0
[M+Na-2H]-	183.11150	142.9
[M]+	162.13628	137.8
[M]-	162.13738	137.8

Literature stripe

literature stripe

Patent stripe

patents stripe