CID 3067040

80762-81-8

Structural Information

Molecular Formula

C₁₁H₂₅NO₂

SMILES

CCC(C)OCC(CNC(C)(C)C)O

InChI

InChI=1S/C11H25NO2/c1-6-9(2)14-8-10(13)7-12-11(3,4)5/h9-10,12-13H,6-8H2,1-5H3

InChIKey

AVUTUYFEQJQTJT-UHFFFAOYSA-N

Compound name

1-butan-2-yloxy-3-(tert-butylamino)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 203.18852 Da
Monoisotopic Mass: 1.3
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]+	204.195796	153.2
[M+Na]+	226.177738	157.1
[M-H]-	202.181244	151.6
[M+NH4]+	221.222343	171.6
[M+K]+	242.151678	156.9
[M+H-H2O]+	186.185780	148.2
[M+HCOO]-	248.186721	171.8
[M+CH3COO]-	262.202371	189.8
[M+Na-2H]-	224.163186	155.4
[M]+	203.18797142	154.6
[M]-	203.18906858	154.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe