CID 10764

Dibutoline sulfate

Structural Information

Molecular Formula

C₁₅H₃₃N₂O₂

SMILES

CCCCN(CCCC)C(=O)OCC[N+](C)(C)CC

InChI

InChI=1S/C15H33N2O2/c1-6-9-11-16(12-10-7-2)15(18)19-14-13-17(4,5)8-3/h6-14H2,1-5H3/q+1

InChIKey

SDEXVKFYBBHUKN-UHFFFAOYSA-N

Compound name

2-(dibutylcarbamoyloxy)ethyl-ethyl-dimethylazanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 13
References: 224
Patents: 273.2542 Da
Monoisotopic Mass: 3.0
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]+	274.26148	168.7
[M+Na]+	296.24342	177.5
[M+NH4]+	291.28802	175.8
[M+K]+	312.21736	172.7
[M-H]-	272.24692	170.1
[M+Na-2H]-	294.22887	171.5
[M]+	273.25365	170.5
[M]-	273.25475	170.5

Literature stripe

literature stripe

Patent stripe

patents stripe