CID 35229

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

Structural Information

Molecular Formula
C5H9N5
SMILES
CCNC1=NC=NC(=N1)N
InChI
InChI=1S/C5H9N5/c1-2-7-5-9-3-8-4(6)10-5/h3H,2H2,1H3,(H3,6,7,8,9,10)
InChIKey
ZCMOXKOUKFOYFB-UHFFFAOYSA-N
Compound name
2-N-ethyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10
Patents

139.0858 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.09308 127.9
[M+Na]+ 162.07502 136.4
[M-H]- 138.07852 127.5
[M+NH4]+ 157.11962 144.9
[M+K]+ 178.04896 134.4
[M+H-H2O]+ 122.08306 119.8
[M+HCOO]- 184.08400 151.3
[M+CH3COO]- 198.09965 177.7
[M+Na-2H]- 160.06047 137.4
[M]+ 139.08525 125.8
[M]- 139.08635 125.8
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