CID 80628

2,4,6-triaminophenol

Structural Information

Molecular Formula
C6H9N3O
SMILES
C1=C(C=C(C(=C1N)O)N)N
InChI
InChI=1S/C6H9N3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H,7-9H2
InChIKey
SUYLOMATYCPVFT-UHFFFAOYSA-N
Compound name
2,4,6-triaminophenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

396
Patents

139.07455 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.081826 126.4
[M+Na]+ 162.063768 134.9
[M-H]- 138.067274 128.4
[M+NH4]+ 157.108373 146.3
[M+K]+ 178.037708 132.2
[M+H-H2O]+ 122.071810 120.9
[M+HCOO]- 184.072751 151.7
[M+CH3COO]- 198.088401 178.6
[M+Na-2H]- 160.049216 131.0
[M]+ 139.07400142 120.6
[M]- 139.07509858 120.6
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