CID 65712280

1699-20-3

Structural Information

Molecular Formula

C₁₀H₁₂Cl₂N₂

SMILES

C1CCCC2=C(CC1)C(=NC(=N2)Cl)Cl

InChI

InChI=1S/C10H12Cl2N2/c11-9-7-5-3-1-2-4-6-8(7)13-10(12)14-9/h1-6H2

InChIKey

GYSPJSMWIBMYAA-UHFFFAOYSA-N

Compound name

2,4-dichloro-5,6,7,8,9,10-hexahydrocycloocta[d]pyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 230.03775 Da
Monoisotopic Mass: 4.4
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]+	231.04503	155.6
[M+Na]+	253.02697	161.3
[M-H]-	229.03047	156.1
[M+NH4]+	248.07157	163.6
[M+K]+	269.00091	159.8
[M+H-H2O]+	213.03501	151.5
[M+HCOO]-	275.03595	159.3
[M+CH3COO]-	289.05160	159.9
[M+Na-2H]-	251.01242	155.9
[M]+	230.03720	155.2
[M]-	230.03830	155.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe