CID 49849377

78800-57-4

Structural Information

Molecular Formula
C13H18ClNO2
SMILES
C[C@H](C(=O)C1=CC(=C(C=C1)O)Cl)NC(C)(C)C
InChI
InChI=1S/C13H18ClNO2/c1-8(15-13(2,3)4)12(17)9-5-6-11(16)10(14)7-9/h5-8,15-16H,1-4H3/t8-/m1/s1
InChIKey
LSZBTGUSYVNVLH-MRVPVSSYSA-N
Compound name
(2R)-2-(tert-butylamino)-1-(3-chloro-4-hydroxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

36
References

0
Patents

255.1026 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.10988 158.4
[M+Na]+ 278.09182 169.4
[M+NH4]+ 273.13642 165.4
[M+K]+ 294.06576 164.4
[M-H]- 254.09532 159.1
[M+Na-2H]- 276.07727 163.0
[M]+ 255.10205 160.3
[M]- 255.10315 160.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.