CID 10435

1,3,5-triazine-2,4-diamine

Structural Information

Molecular Formula
C3H5N5
SMILES
C1=NC(=NC(=N1)N)N
InChI
InChI=1S/C3H5N5/c4-2-6-1-7-3(5)8-2/h1H,(H4,4,5,6,7,8)
InChIKey
VZXTWGWHSMCWGA-UHFFFAOYSA-N
Compound name
1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

57
References

45190
Patents

111.0545 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.06178 119.3
[M+Na]+ 134.04372 128.8
[M-H]- 110.04722 118.7
[M+NH4]+ 129.08832 137.2
[M+K]+ 150.01766 126.9
[M+H-H2O]+ 94.051760 111.7
[M+HCOO]- 156.05270 142.7
[M+CH3COO]- 170.06835 171.0
[M+Na-2H]- 132.02917 128.8
[M]+ 111.05395 115.5
[M]- 111.05505 115.5
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