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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.06326 144.5
[M+Na]+ 233.04520 156.1
[M-H]- 209.04870 148.8
[M+NH4]+ 228.08980 164.6
[M+K]+ 249.01914 152.6
[M+H-H2O]+ 193.05324 139.3
[M+HCOO]- 255.05418 162.9
[M+CH3COO]- 269.06983 186.7
[M+Na-2H]- 231.03065 152.5
[M]+ 210.05543 148.8
[M]- 210.05653 148.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.