CID 586156

2-vinyl-4,6-diamino-1,3,5-triazine

Structural Information

Molecular Formula
C5H7N5
SMILES
C=CC1=NC(=NC(=N1)N)N
InChI
InChI=1S/C5H7N5/c1-2-3-8-4(6)10-5(7)9-3/h2H,1H2,(H4,6,7,8,9,10)
InChIKey
ZXLYUNPVVODNRE-UHFFFAOYSA-N
Compound name
6-ethenyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

4751
Patents

137.07014 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.07742 128.0
[M+Na]+ 160.05936 137.9
[M-H]- 136.06286 127.5
[M+NH4]+ 155.10396 145.1
[M+K]+ 176.03330 134.8
[M+H-H2O]+ 120.06740 120.3
[M+HCOO]- 182.06834 150.9
[M+CH3COO]- 196.08399 177.4
[M+Na-2H]- 158.04481 135.6
[M]+ 137.06959 124.6
[M]- 137.07069 124.6
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