CID 123583

84030-20-6

Structural Information

Molecular Formula

C₈H₁₅N₃

SMILES

CN1CCCN2C1=NCCC2

InChI

InChI=1S/C8H15N3/c1-10-5-3-7-11-6-2-4-9-8(10)11/h2-7H2,1H3

InChIKey

OEBXWWBYZJNKRK-UHFFFAOYSA-N

Compound name

1-methyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 8697
Patents: 153.1266 Da
Monoisotopic Mass: -0.1
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]+	154.13388	135.0
[M+Na]+	176.11582	147.2
[M+NH4]+	171.16042	144.0
[M+K]+	192.08976	140.4
[M-H]-	152.11932	136.4
[M+Na-2H]-	174.10127	140.2
[M]+	153.12605	137.0
[M]-	153.12715	137.0

Literature stripe

literature stripe

Patent stripe

patents stripe