CID 68396

Acetonin

Structural Information

Molecular Formula

C₉H₁₈N₂

SMILES

CC1=NC(NC(C1)(C)C)(C)C

InChI

InChI=1S/C9H18N2/c1-7-6-8(2,3)11-9(4,5)10-7/h11H,6H2,1-5H3

InChIKey

PIFBMJMXJMZZRG-UHFFFAOYSA-N

Compound name

2,2,4,6,6-pentamethyl-1,5-dihydropyrimidine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 474
Patents: 154.147 Da
Monoisotopic Mass: 0.5
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]+	155.15428	135.3
[M+Na]+	177.13622	147.4
[M+NH4]+	172.18082	146.3
[M+K]+	193.11016	137.7
[M-H]-	153.13972	136.3
[M+Na-2H]-	175.12167	143.5
[M]+	154.14645	137.6
[M]-	154.14755	137.6

Literature stripe

literature stripe

Patent stripe

patents stripe