CID 135398733

Hydroxyatrazine

Structural Information

Molecular Formula
C8H15N5O
SMILES
CCNC1=NC(=O)NC(=N1)NC(C)C
InChI
InChI=1S/C8H15N5O/c1-4-9-6-11-7(10-5(2)3)13-8(14)12-6/h5H,4H2,1-3H3,(H3,9,10,11,12,13,14)
InChIKey
NFMIMWNQWAWNDW-UHFFFAOYSA-N
Compound name
4-(ethylamino)-6-(propan-2-ylamino)-1H-1,3,5-triazin-2-one
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

25
References

208
Patents

197.12766 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.13494 144.9
[M+Na]+ 220.11688 152.5
[M-H]- 196.12038 143.6
[M+NH4]+ 215.16148 159.2
[M+K]+ 236.09082 149.6
[M+H-H2O]+ 180.12492 136.6
[M+HCOO]- 242.12586 165.8
[M+CH3COO]- 256.14151 188.4
[M+Na-2H]- 218.10233 151.2
[M]+ 197.12711 143.4
[M]- 197.12821 143.4
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.