CID 135746663

Brn 0513677

Structural Information

Molecular Formula
C7H12N4O
SMILES
CCC1=NC(=NC(=O)N1)NCC
InChI
InChI=1S/C7H12N4O/c1-3-5-9-6(8-4-2)11-7(12)10-5/h3-4H2,1-2H3,(H2,8,9,10,11,12)
InChIKey
JNHOWKJXXHBHPP-UHFFFAOYSA-N
Compound name
6-ethyl-4-(ethylamino)-1H-1,3,5-triazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.1011 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.10838 136.2
[M+Na]+ 191.09032 145.5
[M-H]- 167.09382 135.0
[M+NH4]+ 186.13492 152.2
[M+K]+ 207.06426 142.3
[M+H-H2O]+ 151.09836 128.5
[M+HCOO]- 213.09930 157.4
[M+CH3COO]- 227.11495 179.3
[M+Na-2H]- 189.07577 143.9
[M]+ 168.10055 135.8
[M]- 168.10165 135.8
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.