CID 312603

502141-81-3

Structural Information

Molecular Formula

C₇H₁₀ClN₃

SMILES

CCNC1=NC(=NC(=C1)C)Cl

InChI

InChI=1S/C7H10ClN3/c1-3-9-6-4-5(2)10-7(8)11-6/h4H,3H2,1-2H3,(H,9,10,11)

InChIKey

BUCNSHMBGFFZMV-UHFFFAOYSA-N

Compound name

2-chloro-N-ethyl-6-methylpyrimidin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 11
Patents: 171.05632 Da
Monoisotopic Mass: 2.2
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	133.8
[M+Na]+	194.04554	143.8
[M-H]-	170.04904	135.0
[M+NH4]+	189.09014	152.6
[M+K]+	210.01948	140.2
[M+H-H2O]+	154.05358	127.3
[M+HCOO]-	216.05452	152.7
[M+CH3COO]-	230.07017	181.6
[M+Na-2H]-	192.03099	141.5
[M]+	171.05577	135.8
[M]-	171.05687	135.8

Literature stripe

literature stripe

Patent stripe

patents stripe