CID 50193

Sec-butylaniline

Structural Information

Molecular Formula

C₁₀H₁₅N

SMILES

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

InChI

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

InChIKey

KXTQLJHNRFFXNH-UHFFFAOYSA-N

Compound name

3-butan-2-ylaniline

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 94
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]+	150.127726	133.2
[M+Na]+	172.109668	140.0
[M-H]-	148.113174	136.5
[M+NH4]+	167.154273	154.2
[M+K]+	188.083608	138.0
[M+H-H2O]+	132.117710	127.6
[M+HCOO]-	194.118651	156.8
[M+CH3COO]-	208.134301	180.5
[M+Na-2H]-	170.095116	138.2
[M]+	149.11990142	131.4
[M]-	149.12099858	131.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe