CID 69861

4-tert-butylaniline

Structural Information

Molecular Formula

C₁₀H₁₅N

SMILES

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

InChI

InChI=1S/C10H15N/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7H,11H2,1-3H3

InChIKey

WRDWWAVNELMWAM-UHFFFAOYSA-N

Compound name

4-tert-butylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 6736
Patents: 149.12045 Da
Monoisotopic Mass: 2.7
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]+	150.12773	133.3
[M+Na]+	172.10967	145.6
[M+NH4]+	167.15427	142.6
[M+K]+	188.08361	139.3
[M-H]-	148.11317	136.2
[M+Na-2H]-	170.09512	140.8
[M]+	149.11990	135.9
[M]-	149.12100	135.9

Literature stripe

literature stripe

Patent stripe

patents stripe