CID 74905

3-(dibutylamino)-1-propanol

Structural Information

Molecular Formula

C₁₁H₂₅NO

SMILES

CCCCN(CCCC)CCCO

InChI

InChI=1S/C11H25NO/c1-3-5-8-12(9-6-4-2)10-7-11-13/h13H,3-11H2,1-2H3

InChIKey

DMPODMBXLRMZSP-UHFFFAOYSA-N

Compound name

3-(dibutylamino)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1072
Patents: 187.19362 Da
Monoisotopic Mass: 2.4
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]+	188.20090	149.7
[M+Na]+	210.18284	153.7
[M-H]-	186.18634	149.1
[M+NH4]+	205.22744	169.4
[M+K]+	226.15678	153.1
[M+H-H2O]+	170.19088	143.9
[M+HCOO]-	232.19182	172.1
[M+CH3COO]-	246.20747	190.0
[M+Na-2H]-	208.16829	153.0
[M]+	187.19307	152.9
[M]-	187.19417	152.9

Literature stripe

literature stripe

Patent stripe

patents stripe