CID 87683

1,1-dibutoxytrimethylamine

Structural Information

Molecular Formula

C₁₁H₂₅NO₂

SMILES

CCCCOC(N(C)C)OCCCC

InChI

InChI=1S/C11H25NO2/c1-5-7-9-13-11(12(3)4)14-10-8-6-2/h11H,5-10H2,1-4H3

InChIKey

GSFFXKGTGPMVLM-UHFFFAOYSA-N

Compound name

1,1-dibutoxy-N,N-dimethylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 219
Patents: 203.18852 Da
Monoisotopic Mass: 2.7
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]+	204.195796	152.8
[M+Na]+	226.177738	157.0
[M-H]-	202.181244	153.6
[M+NH4]+	221.222343	172.4
[M+K]+	242.151678	158.2
[M+H-H2O]+	186.185780	146.6
[M+HCOO]-	248.186721	175.9
[M+CH3COO]-	262.202371	195.4
[M+Na-2H]-	224.163186	155.3
[M]+	203.18797142	158.7
[M]-	203.18906858	158.7

Literature stripe

literature stripe

Patent stripe

patents stripe