CID 2735689

2-(4-tert-butylphenyl)ethan-1-amine

Structural Information

Molecular Formula
C12H19N
SMILES
CC(C)(C)C1=CC=C(C=C1)CCN
InChI
InChI=1S/C12H19N/c1-12(2,3)11-6-4-10(5-7-11)8-9-13/h4-7H,8-9,13H2,1-3H3
InChIKey
WKCZSFRAGKIIKN-UHFFFAOYSA-N
Compound name
2-(4-tert-butylphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

529
Patents

177.15175 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.15903 142.1
[M+Na]+ 200.14097 149.0
[M-H]- 176.14447 145.4
[M+NH4]+ 195.18557 162.4
[M+K]+ 216.11491 146.4
[M+H-H2O]+ 160.14901 136.7
[M+HCOO]- 222.14995 164.6
[M+CH3COO]- 236.16560 185.4
[M+Na-2H]- 198.12642 147.9
[M]+ 177.15120 141.2
[M]- 177.15230 141.2
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