CID 97600

2-(4,6-diamino-1,3,5-triazin-2-yl)phenol

Structural Information

Molecular Formula
C9H9N5O
SMILES
C1=CC=C(C(=C1)C2=NC(=NC(=N2)N)N)O
InChI
InChI=1S/C9H9N5O/c10-8-12-7(13-9(11)14-8)5-3-1-2-4-6(5)15/h1-4,15H,(H4,10,11,12,13,14)
InChIKey
UFWLHIVKHDCSHZ-UHFFFAOYSA-N
Compound name
2-(4,6-diamino-1,3,5-triazin-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

39
Patents

203.0807 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.08798 144.2
[M+Na]+ 226.06992 153.9
[M-H]- 202.07342 145.8
[M+NH4]+ 221.11452 157.7
[M+K]+ 242.04386 149.1
[M+H-H2O]+ 186.07796 135.4
[M+HCOO]- 248.07890 165.8
[M+CH3COO]- 262.09455 156.0
[M+Na-2H]- 224.05537 151.3
[M]+ 203.08015 140.5
[M]- 203.08125 140.5
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.