CID 70223643

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

Structural Information

Molecular Formula

C₈H₁₁BrN₂O

SMILES

C[C@@H](CO)NC1=NC=C(C=C1)Br

InChI

InChI=1S/C8H11BrN2O/c1-6(5-12)11-8-3-2-7(9)4-10-8/h2-4,6,12H,5H2,1H3,(H,10,11)/t6-/m0/s1

InChIKey

MHMPNNKNGPHJAE-LURJTMIESA-N

Compound name

(2S)-2-[(5-bromo-2-pyridinyl)amino]propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 230.00548 Da
Monoisotopic Mass: 1.6
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]+	231.012756	141.2
[M+Na]+	252.994698	151.3
[M-H]-	228.998204	144.8
[M+NH4]+	248.039303	160.6
[M+K]+	268.968638	140.1
[M+H-H2O]+	213.002740	140.2
[M+HCOO]-	275.003681	161.0
[M+CH3COO]-	289.019331	187.4
[M+Na-2H]-	250.980146	148.7
[M]+	230.00493142	158.4
[M]-	230.00602858	158.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe