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

8
Annotation Hits: 15
References: 3686
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	133.0
[M+Na]+	194.04554	143.2
[M-H]-	170.04904	135.7
[M+NH4]+	189.09014	152.5
[M+K]+	210.01948	141.0
[M+H-H2O]+	154.05358	126.3
[M+HCOO]-	216.05452	152.4
[M+CH3COO]-	230.07017	185.1
[M+Na-2H]-	192.03099	140.1
[M]+	171.05577	136.3
[M]-	171.05687	136.3

Literature stripe

literature stripe

Patent stripe

patents stripe