CID 5271109

(3-amino-5h-[1,2,4]triazino[5,6-b]indol-8-yl)methanol

Structural Information

Molecular Formula
C10H9N5O
SMILES
C1=CC2=C(C=C1CO)C3=C(N2)N=C(N=N3)N
InChI
InChI=1S/C10H9N5O/c11-10-13-9-8(14-15-10)6-3-5(4-16)1-2-7(6)12-9/h1-3,16H,4H2,(H3,11,12,13,15)
InChIKey
WQDXFPFMTLPYBQ-UHFFFAOYSA-N
Compound name
(3-amino-5H-[1,2,4]triazino[5,6-b]indol-8-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

215.0807 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.08798 145.2
[M+Na]+ 238.06992 157.2
[M-H]- 214.07342 143.8
[M+NH4]+ 233.11452 161.0
[M+K]+ 254.04386 151.1
[M+H-H2O]+ 198.07796 137.3
[M+HCOO]- 260.07890 163.7
[M+CH3COO]- 274.09455 157.1
[M+Na-2H]- 236.05537 153.9
[M]+ 215.08015 144.9
[M]- 215.08125 144.9
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

No patent data available for this compound.