CID 7019438

(r)-1-(4-tert-butylphenyl)ethanamine

Structural Information

Molecular Formula
C12H19N
SMILES
C[C@H](C1=CC=C(C=C1)C(C)(C)C)N
InChI
InChI=1S/C12H19N/c1-9(13)10-5-7-11(8-6-10)12(2,3)4/h5-9H,13H2,1-4H3/t9-/m1/s1
InChIKey
HZUDLUBTTHIVTP-SECBINFHSA-N
Compound name
(1R)-1-(4-tert-butylphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

89
Patents

177.15175 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.159026 142.0
[M+Na]+ 200.140968 148.6
[M-H]- 176.144474 145.4
[M+NH4]+ 195.185573 162.2
[M+K]+ 216.114908 146.6
[M+H-H2O]+ 160.149010 136.7
[M+HCOO]- 222.149951 163.5
[M+CH3COO]- 236.165601 186.2
[M+Na-2H]- 198.126416 146.6
[M]+ 177.15120142 140.5
[M]- 177.15229858 140.5
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

patents stripe