CID 21987

N,n'-dicyanomethylmelamine

Structural Information

Molecular Formula
C7H8N8
SMILES
C(C#N)NC1=NC(=NC(=N1)N)NCC#N
InChI
InChI=1S/C7H8N8/c8-1-3-11-6-13-5(10)14-7(15-6)12-4-2-9/h3-4H2,(H4,10,11,12,13,14,15)
InChIKey
HETKQHQWYSKPCE-UHFFFAOYSA-N
Compound name
2-[[4-amino-6-(cyanomethylamino)-1,3,5-triazin-2-yl]amino]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.08719 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.09447 149.2
[M+Na]+ 227.07641 155.9
[M-H]- 203.07991 147.8
[M+NH4]+ 222.12101 157.1
[M+K]+ 243.05035 155.5
[M+H-H2O]+ 187.08445 130.9
[M+HCOO]- 249.08539 160.6
[M+CH3COO]- 263.10104 221.7
[M+Na-2H]- 225.06186 152.7
[M]+ 204.08664 138.7
[M]- 204.08774 138.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.