CID 28798282

[(1s)-1-(4-tert-butylphenyl)ethyl](methyl)amine hydrochloride

Structural Information

Molecular Formula
C13H21N
SMILES
C[C@@H](C1=CC=C(C=C1)C(C)(C)C)NC
InChI
InChI=1S/C13H21N/c1-10(14-5)11-6-8-12(9-7-11)13(2,3)4/h6-10,14H,1-5H3/t10-/m0/s1
InChIKey
RRNGXNXWZZFZMK-JTQLQIEISA-N
Compound name
(1S)-1-(4-tert-butylphenyl)-N-methylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.1674 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.17468 146.1
[M+Na]+ 214.15662 152.2
[M-H]- 190.16012 149.7
[M+NH4]+ 209.20122 166.0
[M+K]+ 230.13056 150.3
[M+H-H2O]+ 174.16466 140.5
[M+HCOO]- 236.16560 167.8
[M+CH3COO]- 250.18125 190.0
[M+Na-2H]- 212.14207 151.2
[M]+ 191.16685 145.9
[M]- 191.16795 145.9
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.