CID 124252837

1823265-06-0

Structural Information

Molecular Formula

C₁₀H₁₃N₃O₃

SMILES

CC(C)(C)OC(=O)NC1=NN=C(C=C1)C=O

InChI

InChI=1S/C10H13N3O3/c1-10(2,3)16-9(15)11-8-5-4-7(6-14)12-13-8/h4-6H,1-3H3,(H,11,13,15)

InChIKey

JAAJQSRKDONZOI-UHFFFAOYSA-N

Compound name

tert-butyl N-(6-formylpyridazin-3-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 223.09569 Da
Monoisotopic Mass: 0.5
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]+	224.102966	149.5
[M+Na]+	246.084908	157.4
[M-H]-	222.088414	150.8
[M+NH4]+	241.129513	165.0
[M+K]+	262.058848	156.1
[M+H-H2O]+	206.092950	142.1
[M+HCOO]-	268.093891	170.7
[M+CH3COO]-	282.109541	189.3
[M+Na-2H]-	244.070356	156.5
[M]+	223.09514142	151.9
[M]-	223.09623858	151.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe