CID 44118835

959617-71-1

Structural Information

Molecular Formula

C₁₀H₁₃N₃O₃

SMILES

CC(C)(C)OC(=O)NC1=NC=C(N=C1)C=O

InChI

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

InChIKey

ARENRXTXYPJFQV-UHFFFAOYSA-N

Compound name

tert-butyl N-(5-formylpyrazin-2-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
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]+	224.10297	149.0
[M+Na]+	246.08491	159.4
[M+NH4]+	241.12951	154.2
[M+K]+	262.05885	155.7
[M-H]-	222.08841	148.1
[M+Na-2H]-	244.07036	154.0
[M]+	223.09514	149.9
[M]-	223.09624	149.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe