CID 61265349

2-(5-chloro-1,3-benzoxazol-2-yl)propan-2-amine hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₁ClN₂O

SMILES

CC(C)(C1=NC2=C(O1)C=CC(=C2)Cl)N

InChI

InChI=1S/C10H11ClN2O/c1-10(2,12)9-13-7-5-6(11)3-4-8(7)14-9/h3-5H,12H2,1-2H3

InChIKey

SDRMDASSFLDLOI-UHFFFAOYSA-N

Compound name

2-(5-chloro-1,3-benzoxazol-2-yl)propan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 210.05598 Da
Monoisotopic Mass: 1.9
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]+	211.063256	144.5
[M+Na]+	233.045198	156.1
[M-H]-	209.048704	148.8
[M+NH4]+	228.089803	164.6
[M+K]+	249.019138	152.6
[M+H-H2O]+	193.053240	139.3
[M+HCOO]-	255.054181	162.9
[M+CH3COO]-	269.069831	186.7
[M+Na-2H]-	231.030646	152.5
[M]+	210.05543142	148.8
[M]-	210.05652858	148.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.