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]+ 183.12404 140.9
[M+Na]+ 205.10598 149.5
[M-H]- 181.10948 139.6
[M+NH4]+ 200.15058 156.3
[M+K]+ 221.07992 146.6
[M+H-H2O]+ 165.11402 133.1
[M+HCOO]- 227.11496 160.8
[M+CH3COO]- 241.13061 183.2
[M+Na-2H]- 203.09143 146.9
[M]+ 182.11621 140.3
[M]- 182.11731 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.