CID 53419039

91342-74-4

Structural Information

Molecular Formula

C₁₀H₂₁NO

SMILES

CC(C)CC(CN(C)C)C(=O)C

InChI

InChI=1S/C10H21NO/c1-8(2)6-10(9(3)12)7-11(4)5/h8,10H,6-7H2,1-5H3

InChIKey

QCDJYGZCMGEQNF-UHFFFAOYSA-N

Compound name

3-[(dimethylamino)methyl]-5-methylhexan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 140
Patents: 171.16231 Da
Monoisotopic Mass: 1.6
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]+	172.169586	143.6
[M+Na]+	194.151528	148.2
[M-H]-	170.155034	145.0
[M+NH4]+	189.196133	164.4
[M+K]+	210.125468	149.6
[M+H-H2O]+	154.159570	138.2
[M+HCOO]-	216.160511	165.1
[M+CH3COO]-	230.176161	191.4
[M+Na-2H]-	192.136976	144.3
[M]+	171.16176142	145.7
[M]-	171.16285858	145.7

Literature stripe

literature stripe

Patent stripe

patents stripe