CID 87682

18503-89-4

Structural Information

Molecular Formula

C₉H₂₁NO₂

SMILES

CC(C)OC(N(C)C)OC(C)C

InChI

InChI=1S/C9H21NO2/c1-7(2)11-9(10(5)6)12-8(3)4/h7-9H,1-6H3

InChIKey

XOZZATXWQMOVHL-UHFFFAOYSA-N

Compound name

N,N-dimethyl-1,1-di(propan-2-yloxy)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 566
Patents: 175.15723 Da
Monoisotopic Mass: 1.8
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]+	176.16451	143.7
[M+Na]+	198.14645	148.4
[M-H]-	174.14995	145.2
[M+NH4]+	193.19105	164.4
[M+K]+	214.12039	151.1
[M+H-H2O]+	158.15449	138.2
[M+HCOO]-	220.15543	165.6
[M+CH3COO]-	234.17108	191.2
[M+Na-2H]-	196.13190	144.8
[M]+	175.15668	147.6
[M]-	175.15778	147.6

Literature stripe

literature stripe

Patent stripe

patents stripe