CID 43500209

1154894-63-9

Structural Information

Molecular Formula

C₉H₁₃BrN₂O

SMILES

CC(C)(CO)NC1=NC=C(C=C1)Br

InChI

InChI=1S/C9H13BrN2O/c1-9(2,6-13)12-8-4-3-7(10)5-11-8/h3-5,13H,6H2,1-2H3,(H,11,12)

InChIKey

CESZUUDROCEANH-UHFFFAOYSA-N

Compound name

2-[(5-bromopyridin-2-yl)amino]-2-methylpropan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 244.02113 Da
Monoisotopic Mass: 1.8
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]+	245.02841	146.5
[M+Na]+	267.01035	156.9
[M-H]-	243.01385	150.2
[M+NH4]+	262.05495	165.6
[M+K]+	282.98429	145.4
[M+H-H2O]+	227.01839	145.9
[M+HCOO]-	289.01933	165.4
[M+CH3COO]-	303.03498	189.7
[M+Na-2H]-	264.99580	155.2
[M]+	244.02058	164.1
[M]-	244.02168	164.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe