CID 135746664

Brn 0515813

Structural Information

Molecular Formula
C8H14N4O
SMILES
CCC1=NC(=NC(=O)N1)NC(C)C
InChI
InChI=1S/C8H14N4O/c1-4-6-10-7(9-5(2)3)12-8(13)11-6/h5H,4H2,1-3H3,(H2,9,10,11,12,13)
InChIKey
CIECLHRLHFXCEF-UHFFFAOYSA-N
Compound name
6-ethyl-4-(propan-2-ylamino)-1H-1,3,5-triazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.11676 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.124036 140.9
[M+Na]+ 205.105978 149.5
[M-H]- 181.109484 139.6
[M+NH4]+ 200.150583 156.3
[M+K]+ 221.079918 146.6
[M+H-H2O]+ 165.114020 133.1
[M+HCOO]- 227.114961 160.8
[M+CH3COO]- 241.130611 183.2
[M+Na-2H]- 203.091426 146.9
[M]+ 182.11621142 140.3
[M]- 182.11730858 140.3
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.