CID 3067037

80762-78-3

Structural Information

Molecular Formula

C₁₀H₂₃NO₂

SMILES

CCCCOCC(CNC(C)C)O

InChI

InChI=1S/C10H23NO2/c1-4-5-6-13-8-10(12)7-11-9(2)3/h9-12H,4-8H2,1-3H3

InChIKey

MPKDLRDPGPYHDY-UHFFFAOYSA-N

Compound name

1-butoxy-3-(propan-2-ylamino)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 189.17288 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]+	190.18016	149.2
[M+Na]+	212.16210	153.0
[M-H]-	188.16560	147.4
[M+NH4]+	207.20670	167.9
[M+K]+	228.13604	152.6
[M+H-H2O]+	172.17014	143.6
[M+HCOO]-	234.17108	169.7
[M+CH3COO]-	248.18673	187.1
[M+Na-2H]-	210.14755	151.2
[M]+	189.17233	150.8
[M]-	189.17343	150.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe