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

11
Patents

219.1987 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.205976 155.5
[M+Na]+ 242.187918 160.7
[M-H]- 218.191424 158.7
[M+NH4]+ 237.232523 174.2
[M+K]+ 258.161858 158.3
[M+H-H2O]+ 202.195960 149.5
[M+HCOO]- 264.196901 176.5
[M+CH3COO]- 278.212551 196.0
[M+Na-2H]- 240.173366 159.5
[M]+ 219.19815142 156.1
[M]- 219.19924858 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