CID 135398734

Deisopropylhydroxyatrazine

Structural Information

Molecular Formula
C5H9N5O
SMILES
CCNC1=NC(=O)NC(=N1)N
InChI
InChI=1S/C5H9N5O/c1-2-7-4-8-3(6)9-5(11)10-4/h2H2,1H3,(H4,6,7,8,9,10,11)
InChIKey
XRVCXZWINJOORX-UHFFFAOYSA-N
Compound name
6-amino-4-(ethylamino)-1H-1,3,5-triazin-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

585
Patents

155.0807 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.08798 131.4
[M+Na]+ 178.06992 140.7
[M-H]- 154.07342 130.1
[M+NH4]+ 173.11452 147.3
[M+K]+ 194.04386 137.6
[M+H-H2O]+ 138.07796 123.7
[M+HCOO]- 200.07890 153.7
[M+CH3COO]- 214.09455 177.8
[M+Na-2H]- 176.05537 139.5
[M]+ 155.08015 128.6
[M]- 155.08125 128.6
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.