CID 11790250

Tributylamine n-oxide

Structural Information

Molecular Formula

C₁₂H₂₇NO

SMILES

CCCC[N+](CCCC)(CCCC)[O-]

InChI

InChI=1S/C12H27NO/c1-4-7-10-13(14,11-8-5-2)12-9-6-3/h4-12H2,1-3H3

InChIKey

QDTCBEZXBDUOCR-UHFFFAOYSA-N

Compound name

N,N-dibutylbutan-1-amine oxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 354
Patents: 201.20926 Da
Monoisotopic Mass: 3.5
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]+	202.21654	152.9
[M+Na]+	224.19848	157.6
[M-H]-	200.20198	152.5
[M+NH4]+	219.24308	172.3
[M+K]+	240.17242	151.9
[M+H-H2O]+	184.20652	152.9
[M+HCOO]-	246.20746	175.1
[M+CH3COO]-	260.22311	185.9
[M+Na-2H]-	222.18393	159.6
[M]+	201.20871	154.7
[M]-	201.20981	154.7

Literature stripe

literature stripe

Patent stripe

patents stripe