CID 72217741

1289168-19-9

Structural Information

Molecular Formula

C₆H₅BrN₂O

SMILES

C1=C(C=NC(=C1N)C=O)Br

InChI

InChI=1S/C6H5BrN2O/c7-4-1-5(8)6(3-10)9-2-4/h1-3H,8H2

InChIKey

LBGAGUYLIVTKPI-UHFFFAOYSA-N

Compound name

3-amino-5-bromopyridine-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 199.95853 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]+	200.96581	129.5
[M+Na]+	222.94775	142.4
[M-H]-	198.95125	134.7
[M+NH4]+	217.99235	150.8
[M+K]+	238.92169	131.2
[M+H-H2O]+	182.95579	129.0
[M+HCOO]-	244.95673	152.0
[M+CH3COO]-	258.97238	182.9
[M+Na-2H]-	220.93320	138.2
[M]+	199.95798	147.2
[M]-	199.95908	147.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe