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]+ 198.134936 144.9
[M+Na]+ 220.116878 152.5
[M-H]- 196.120384 143.6
[M+NH4]+ 215.161483 159.2
[M+K]+ 236.090818 149.6
[M+H-H2O]+ 180.124920 136.6
[M+HCOO]- 242.125861 165.8
[M+CH3COO]- 256.141511 188.4
[M+Na-2H]- 218.102326 151.2
[M]+ 197.12711142 143.4
[M]- 197.12820858 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

literature stripe

Patent stripe

patents stripe