CID 28998233

(1s)-2-(tert-butoxy)-1-phenylethan-1-amine hydrochloride

Structural Information

Molecular Formula
C12H19NO
SMILES
CC(C)(C)OC[C@H](C1=CC=CC=C1)N
InChI
InChI=1S/C12H19NO/c1-12(2,3)14-9-11(13)10-7-5-4-6-8-10/h4-8,11H,9,13H2,1-3H3/t11-/m1/s1
InChIKey
XRXCWPWRRPBJPA-LLVKDONJSA-N
Compound name
(1S)-2-[(2-methylpropan-2-yl)oxy]-1-phenylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

193.14667 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.153946 146.2
[M+Na]+ 216.135888 151.7
[M-H]- 192.139394 149.0
[M+NH4]+ 211.180493 165.3
[M+K]+ 232.109828 150.1
[M+H-H2O]+ 176.143930 140.3
[M+HCOO]- 238.144871 167.8
[M+CH3COO]- 252.160521 187.1
[M+Na-2H]- 214.121336 151.4
[M]+ 193.14612142 145.7
[M]- 193.14721858 145.7
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.