CID 79873

5807-14-7

Structural Information

Molecular Formula

C₇H₁₃N₃

SMILES

C1CNC2=NCCCN2C1

InChI

InChI=1S/C7H13N3/c1-3-8-7-9-4-2-6-10(7)5-1/h1-6H2,(H,8,9)

InChIKey

FVKFHMNJTHKMRX-UHFFFAOYSA-N

Compound name

3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 50
References: 14421
Patents: 139.11095 Da
Monoisotopic Mass: -0.3
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]+	140.11823	130.8
[M+Na]+	162.10017	136.0
[M-H]-	138.10367	128.4
[M+NH4]+	157.14477	148.2
[M+K]+	178.07411	133.4
[M+H-H2O]+	122.10821	122.7
[M+HCOO]-	184.10915	144.6
[M+CH3COO]-	198.12480	141.5
[M+Na-2H]-	160.08562	138.7
[M]+	139.11040	122.7
[M]-	139.11150	122.7

Literature stripe

literature stripe

Patent stripe

patents stripe