CID 10813

Crimidine

Structural Information

Molecular Formula

C₇H₁₀ClN₃

SMILES

CC1=CC(=NC(=N1)Cl)N(C)C

InChI

InChI=1S/C7H10ClN3/c1-5-4-6(11(2)3)10-7(8)9-5/h4H,1-3H3

InChIKey

HJIUPFPIEBPYIE-UHFFFAOYSA-N

Compound name

2-chloro-N,N,6-trimethylpyrimidin-4-amine

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 15
References: 3487
Patents: 171.05632 Da
Monoisotopic Mass: 2.0
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]+	172.06360	132.9
[M+Na]+	194.04554	147.3
[M+NH4]+	189.09014	141.8
[M+K]+	210.01948	140.6
[M-H]-	170.04904	135.3
[M+Na-2H]-	192.03099	140.9
[M]+	171.05577	135.9
[M]-	171.05687	135.9

Literature stripe

literature stripe

Patent stripe

patents stripe