CID 47866

Cyromazine

Structural Information

Molecular Formula

C₆H₁₀N₆

SMILES

C1CC1NC2=NC(=NC(=N2)N)N

InChI

InChI=1S/C6H10N6/c7-4-10-5(8)12-6(11-4)9-3-1-2-3/h3H,1-2H2,(H5,7,8,9,10,11,12)

InChIKey

LVQDKIWDGQRHTE-UHFFFAOYSA-N

Compound name

2-N-cyclopropyl-1,3,5-triazine-2,4,6-triamine

Related CIDs

2D Structure

compound 2d structure

10
Annotation Hits: 200
References: 32875
Patents: 166.0967 Da
Monoisotopic Mass: -0.2
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]+	167.10398	139.6
[M+Na]+	189.08592	150.0
[M-H]-	165.08942	143.0
[M+NH4]+	184.13052	150.5
[M+K]+	205.05986	144.8
[M+H-H2O]+	149.09396	131.2
[M+HCOO]-	211.09490	163.8
[M+CH3COO]-	225.11055	188.2
[M+Na-2H]-	187.07137	147.1
[M]+	166.09615	137.9
[M]-	166.09725	137.9

Literature stripe

literature stripe

Patent stripe

patents stripe