CID 13787913

[3-(4-tert-butylphenyl)-2-methylpropyl](methyl)amine

Structural Information

Molecular Formula
C15H25N
SMILES
CC(CC1=CC=C(C=C1)C(C)(C)C)CNC
InChI
InChI=1S/C15H25N/c1-12(11-16-5)10-13-6-8-14(9-7-13)15(2,3)4/h6-9,12,16H,10-11H2,1-5H3
InChIKey
PWSCRZWBXSRVNG-UHFFFAOYSA-N
Compound name
3-(4-tert-butylphenyl)-N,2-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

219.1987 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.20598 155.5
[M+Na]+ 242.18792 160.7
[M-H]- 218.19142 158.7
[M+NH4]+ 237.23252 174.2
[M+K]+ 258.16186 158.3
[M+H-H2O]+ 202.19596 149.5
[M+HCOO]- 264.19690 176.5
[M+CH3COO]- 278.21255 196.0
[M+Na-2H]- 240.17337 159.5
[M]+ 219.19815 156.1
[M]- 219.19925 156.1
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