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

35
References

650
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

literature stripe

Patent stripe

patents stripe