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]+ 169.108376 136.2
[M+Na]+ 191.090318 145.5
[M-H]- 167.093824 135.0
[M+NH4]+ 186.134923 152.2
[M+K]+ 207.064258 142.3
[M+H-H2O]+ 151.098360 128.5
[M+HCOO]- 213.099301 157.4
[M+CH3COO]- 227.114951 179.3
[M+Na-2H]- 189.075766 143.9
[M]+ 168.10055142 135.8
[M]- 168.10164858 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.