CID 146155322

2416218-76-1

Structural Information

Molecular Formula

C₆H₇N₃O₃

SMILES

C1CN2C(=NNC(=O)C2=O)[C@H]1O

InChI

InChI=1S/C6H7N3O3/c10-3-1-2-9-4(3)7-8-5(11)6(9)12/h3,10H,1-2H2,(H,8,11)/t3-/m0/s1

InChIKey

CENHVJSBNKIWGC-VKHMYHEASA-N

Compound name

(8S)-8-hydroxy-2,6,7,8-tetrahydropyrrolo[2,1-c][1,2,4]triazine-3,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 169.04874 Da
Monoisotopic Mass: -1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	170.056016	130.9
[M+Na]+	192.037958	142.2
[M-H]-	168.041464	129.8
[M+NH4]+	187.082563	149.2
[M+K]+	208.011898	138.8
[M+H-H2O]+	152.046000	124.4
[M+HCOO]-	214.046941	149.6
[M+CH3COO]-	228.062591	171.5
[M+Na-2H]-	190.023406	137.0
[M]+	169.04819142	129.8
[M]-	169.04928858	129.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.