CID 94851

Butyraldehyde aniline

Structural Information

Molecular Formula

C₁₀H₁₃N

SMILES

CCCC=NC1=CC=CC=C1

InChI

InChI=1S/C10H13N/c1-2-3-9-11-10-7-5-4-6-8-10/h4-9H,2-3H2,1H3

InChIKey

LPXPSTWBTULMJE-UHFFFAOYSA-N

Compound name

N-phenylbutan-1-imine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2075
Patents: 147.1048 Da
Monoisotopic Mass: 2.4
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]+	148.11208	130.7
[M+Na]+	170.09402	137.6
[M-H]-	146.09752	135.5
[M+NH4]+	165.13862	152.5
[M+K]+	186.06796	135.9
[M+H-H2O]+	130.10206	124.5
[M+HCOO]-	192.10300	157.7
[M+CH3COO]-	206.11865	180.4
[M+Na-2H]-	168.07947	139.3
[M]+	147.10425	131.4
[M]-	147.10535	131.4

Literature stripe

literature stripe

Patent stripe

patents stripe