CID 28350527

886763-06-0

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]+	206.19032	150.8
[M+Na]+	228.17226	156.8
[M-H]-	204.17576	154.2
[M+NH4]+	223.21686	170.2
[M+K]+	244.14620	154.1
[M+H-H2O]+	188.18030	145.0
[M+HCOO]-	250.18124	173.3
[M+CH3COO]-	264.19689	192.2
[M+Na-2H]-	226.15771	156.6
[M]+	205.18249	151.7
[M]-	205.18359	151.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe