CID 75419

3,5-di-tert-butylaniline

Structural Information

Molecular Formula

C₁₄H₂₃N

SMILES

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

InChI

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

InChIKey

MJKNHXCPGXUEDO-UHFFFAOYSA-N

Compound name

3,5-ditert-butylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 772
Patents: 205.18304 Da
Monoisotopic Mass: 4.6
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	151.7
[M+Na]+	228.17226	163.4
[M+NH4]+	223.21686	160.1
[M+K]+	244.14620	157.5
[M-H]-	204.17576	154.0
[M+Na-2H]-	226.15771	157.9
[M]+	205.18249	154.2
[M]-	205.18359	154.2

Literature stripe

literature stripe

Patent stripe

patents stripe