CID 294557

1-dibutylaminopropan-2-ol

Structural Information

Molecular Formula

C₁₁H₂₅NO

SMILES

CCCCN(CCCC)CC(C)O

InChI

InChI=1S/C11H25NO/c1-4-6-8-12(9-7-5-2)10-11(3)13/h11,13H,4-10H2,1-3H3

InChIKey

ICMJHPBQTVWCNT-UHFFFAOYSA-N

Compound name

1-(dibutylamino)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 430
Patents: 187.19362 Da
Monoisotopic Mass: 2.5
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	150.4
[M+Na]+	210.18284	154.2
[M-H]-	186.18634	149.9
[M+NH4]+	205.22744	170.0
[M+K]+	226.15678	154.1
[M+H-H2O]+	170.19088	144.7
[M+HCOO]-	232.19182	171.8
[M+CH3COO]-	246.20747	190.8
[M+Na-2H]-	208.16829	152.4
[M]+	187.19307	152.9
[M]-	187.19417	152.9

Literature stripe

literature stripe

Patent stripe

patents stripe