CID 2574642

2-(4-tert-butyl-2,6-dimethylphenyl)ethan-1-amine

Structural Information

Molecular Formula
C14H23N
SMILES
CC1=CC(=CC(=C1CCN)C)C(C)(C)C
InChI
InChI=1S/C14H23N/c1-10-8-12(14(3,4)5)9-11(2)13(10)6-7-15/h8-9H,6-7,15H2,1-5H3
InChIKey
LTMDLAXVPFVGPB-UHFFFAOYSA-N
Compound name
2-(4-tert-butyl-2,6-dimethylphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1
Patents

205.18304 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.190316 150.2
[M+Na]+ 228.172258 158.1
[M-H]- 204.175764 153.9
[M+NH4]+ 223.216863 170.0
[M+K]+ 244.146198 155.1
[M+H-H2O]+ 188.180300 145.0
[M+HCOO]- 250.181241 172.0
[M+CH3COO]- 264.196891 193.8
[M+Na-2H]- 226.157706 153.6
[M]+ 205.18249142 150.9
[M]- 205.18358858 150.9
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