CID 28350527

[3-(4-tert-butylphenyl)propyl](methyl)amine

Structural Information

Molecular Formula

C₁₄H₂₃N

SMILES

CC(C)(C)C1=CC=C(C=C1)CCCNC

InChI

InChI=1S/C14H23N/c1-14(2,3)13-9-7-12(8-10-13)6-5-11-15-4/h7-10,15H,5-6,11H2,1-4H3

InChIKey

HGBOJKQUNCORFO-UHFFFAOYSA-N

Compound name

3-(4-tert-butylphenyl)-N-methylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 205.18304 Da
Monoisotopic Mass: 3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	206.190316	150.8
[M+Na]+	228.172258	156.8
[M-H]-	204.175764	154.2
[M+NH4]+	223.216863	170.2
[M+K]+	244.146198	154.1
[M+H-H2O]+	188.180300	145.0
[M+HCOO]-	250.181241	173.3
[M+CH3COO]-	264.196891	192.2
[M+Na-2H]-	226.157706	156.6
[M]+	205.18249142	151.7
[M]-	205.18358858	151.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe