CID 30773

Cyanazine

Structural Information

Molecular Formula
C9H13ClN6
SMILES
CCNC1=NC(=NC(=N1)Cl)NC(C)(C)C#N
InChI
InChI=1S/C9H13ClN6/c1-4-12-7-13-6(10)14-8(15-7)16-9(2,3)5-11/h4H2,1-3H3,(H2,12,13,14,15,16)
InChIKey
MZZBPDKVEFVLFF-UHFFFAOYSA-N
Compound name
2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

153
References

30763
Patents

240.08902 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.096296 154.2
[M+Na]+ 263.078238 163.2
[M-H]- 239.081744 152.8
[M+NH4]+ 258.122843 166.3
[M+K]+ 279.052178 160.1
[M+H-H2O]+ 223.086280 139.3
[M+HCOO]- 285.087221 166.9
[M+CH3COO]- 299.102871 207.6
[M+Na-2H]- 261.063686 160.6
[M]+ 240.08847142 150.1
[M]- 240.08956858 150.1
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