CID 22340888

2,6-diisobutylaniline

Structural Information

Molecular Formula

C₁₄H₂₃N

SMILES

CC(C)CC1=C(C(=CC=C1)CC(C)C)N

InChI

InChI=1S/C14H23N/c1-10(2)8-12-6-5-7-13(14(12)15)9-11(3)4/h5-7,10-11H,8-9,15H2,1-4H3

InChIKey

PSIJIENWURFNAS-UHFFFAOYSA-N

Compound name

2,6-bis(2-methylpropyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 84
Patents: 205.18304 Da
Monoisotopic Mass: 4.4
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	151.3
[M+Na]+	228.17226	162.8
[M+NH4]+	223.21686	159.8
[M+K]+	244.14620	156.1
[M-H]-	204.17576	154.3
[M+Na-2H]-	226.15771	156.8
[M]+	205.18249	153.7
[M]-	205.18359	153.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe