CID 3087480

Crl 41336

Structural Information

Molecular Formula

C₁₀H₁₁ClN₂

SMILES

C1C(CN=CN1)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C10H11ClN2/c11-10-3-1-8(2-4-10)9-5-12-7-13-6-9/h1-4,7,9H,5-6H2,(H,12,13)

InChIKey

MTTBKSNWOOMSGC-UHFFFAOYSA-N

Compound name

5-(4-chlorophenyl)-1,4,5,6-tetrahydropyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 194.06108 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]+	195.06836	140.6
[M+Na]+	217.05030	155.8
[M+NH4]+	212.09490	150.0
[M+K]+	233.02424	147.4
[M-H]-	193.05380	144.3
[M+Na-2H]-	215.03575	149.9
[M]+	194.06053	144.1
[M]-	194.06163	144.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe