CID 28265131

2-(4-tert-butylphenyl)propan-2-amine

Structural Information

Molecular Formula
C13H21N
SMILES
CC(C)(C)C1=CC=C(C=C1)C(C)(C)N
InChI
InChI=1S/C13H21N/c1-12(2,3)10-6-8-11(9-7-10)13(4,5)14/h6-9H,14H2,1-5H3
InChIKey
LVPDSISYRXTPSS-UHFFFAOYSA-N
Compound name
2-(4-tert-butylphenyl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

191.1674 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.17468 145.8
[M+Na]+ 214.15662 152.7
[M-H]- 190.16012 149.2
[M+NH4]+ 209.20122 165.6
[M+K]+ 230.13056 150.4
[M+H-H2O]+ 174.16466 140.9
[M+HCOO]- 236.16560 166.4
[M+CH3COO]- 250.18125 188.9
[M+Na-2H]- 212.14207 151.9
[M]+ 191.16685 144.8
[M]- 191.16795 144.8
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

patents stripe