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

20
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.