CID 15820

1853-90-3

Structural Information

Molecular Formula

C₅H₈N₄

SMILES

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

InChI

InChI=1S/C5H8N4/c1-3-7-4(2)9-5(6)8-3/h1-2H3,(H2,6,7,8,9)

InChIKey

VQZRXBOTCNWNLM-UHFFFAOYSA-N

Compound name

4,6-dimethyl-1,3,5-triazin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 371
Patents: 124.0749 Da
Monoisotopic Mass: 0.4
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]+	125.08218	124.7
[M+Na]+	147.06412	135.1
[M-H]-	123.06762	124.6
[M+NH4]+	142.10872	143.0
[M+K]+	163.03806	133.2
[M+H-H2O]+	107.07216	117.3
[M+HCOO]-	169.07310	147.0
[M+CH3COO]-	183.08875	173.9
[M+Na-2H]-	145.04957	133.0
[M]+	124.07435	123.7
[M]-	124.07545	123.7

Literature stripe

literature stripe

Patent stripe

patents stripe