CID 244282

2-(neopentylamino)ethanol

Structural Information

Molecular Formula

SMILES

CC(C)(C)CNCCO

InChI

InChI=1S/C7H17NO/c1-7(2,3)6-8-4-5-9/h8-9H,4-6H2,1-3H3

InChIKey

MTPDACKXWMOHEB-UHFFFAOYSA-N

Compound name

2-(2,2-dimethylpropylamino)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 126
Patents: 131.13101 Da
Monoisotopic Mass: 0.8
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]+	132.13829	130.2
[M+Na]+	154.12023	138.9
[M+NH4]+	149.16483	137.8
[M+K]+	170.09417	134.2
[M-H]-	130.12373	129.3
[M+Na-2H]-	152.10568	133.6
[M]+	131.13046	131.0
[M]-	131.13156	131.0

Literature stripe

literature stripe

Patent stripe

patents stripe