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

11
Patents

191.1674 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.174676 145.8
[M+Na]+ 214.156618 152.7
[M-H]- 190.160124 149.2
[M+NH4]+ 209.201223 165.6
[M+K]+ 230.130558 150.4
[M+H-H2O]+ 174.164660 140.9
[M+HCOO]- 236.165601 166.4
[M+CH3COO]- 250.181251 188.9
[M+Na-2H]- 212.142066 151.9
[M]+ 191.16685142 144.8
[M]- 191.16794858 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