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

34732
Patents

166.0967 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.103976 139.6
[M+Na]+ 189.085918 150.0
[M-H]- 165.089424 143.0
[M+NH4]+ 184.130523 150.5
[M+K]+ 205.059858 144.8
[M+H-H2O]+ 149.093960 131.2
[M+HCOO]- 211.094901 163.8
[M+CH3COO]- 225.110551 188.2
[M+Na-2H]- 187.071366 147.1
[M]+ 166.09615142 137.9
[M]- 166.09724858 137.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe