CID 121771

4-sec-butylaniline

Structural Information

Molecular Formula

C₁₀H₁₅N

SMILES

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

InChI

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

InChIKey

NVVVQTNTLIAISI-UHFFFAOYSA-N

Compound name

4-butan-2-ylaniline

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 978
Patents: 149.12045 Da
Monoisotopic Mass: 2.8
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]+	150.12773	133.1
[M+Na]+	172.10967	145.4
[M+NH4]+	167.15427	142.4
[M+K]+	188.08361	138.6
[M-H]-	148.11317	136.4
[M+Na-2H]-	170.09512	140.3
[M]+	149.11990	135.7
[M]-	149.12100	135.7

Literature stripe

literature stripe

Patent stripe

patents stripe