CID 89443

21155-53-3

Structural Information

Molecular Formula

C₁₄H₂₃N

SMILES

CCC(C)C1=C(C(=CC=C1)C(C)CC)N

InChI

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

InChIKey

GCTRPALYLKYZIR-UHFFFAOYSA-N

Compound name

2,6-di(butan-2-yl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 205.18304 Da
Monoisotopic Mass: 4.0
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	151.6
[M+Na]+	228.172258	157.4
[M-H]-	204.175764	154.6
[M+NH4]+	223.216863	170.6
[M+K]+	244.146198	154.9
[M+H-H2O]+	188.180300	145.5
[M+HCOO]-	250.181241	172.9
[M+CH3COO]-	264.196891	194.7
[M+Na-2H]-	226.157706	152.4
[M]+	205.18249142	151.0
[M]-	205.18358858	151.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe