CID 588421

Ethanol, 2-(diisobutylamino)-, hydrochloride

Structural Information

Molecular Formula

C₁₀H₂₃NO

SMILES

CC(C)CN(CCO)CC(C)C

InChI

InChI=1S/C10H23NO/c1-9(2)7-11(5-6-12)8-10(3)4/h9-10,12H,5-8H2,1-4H3

InChIKey

UJCCSVVTAYOWLL-UHFFFAOYSA-N

Compound name

2-[bis(2-methylpropyl)amino]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 286
Patents: 173.17796 Da
Monoisotopic Mass: 2.2
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]+	174.185236	146.2
[M+Na]+	196.167178	150.2
[M-H]-	172.170684	145.9
[M+NH4]+	191.211783	166.3
[M+K]+	212.141118	150.7
[M+H-H2O]+	156.175220	140.7
[M+HCOO]-	218.176161	166.9
[M+CH3COO]-	232.191811	188.7
[M+Na-2H]-	194.152626	147.4
[M]+	173.17741142	147.6
[M]-	173.17850858	147.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe