CID 107536

N-heptylidenebenzenamine

Structural Information

Molecular Formula

C₁₃H₁₉N

SMILES

CCCCCCC=NC1=CC=CC=C1

InChI

InChI=1S/C13H19N/c1-2-3-4-5-9-12-14-13-10-7-6-8-11-13/h6-8,10-12H,2-5,9H2,1H3

InChIKey

KMSXNTKLHGLTFH-UHFFFAOYSA-N

Compound name

N-phenylheptan-1-imine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 3
Patents: 189.15175 Da
Monoisotopic Mass: 4.0
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]+	190.15903	144.7
[M+Na]+	212.14097	150.3
[M-H]-	188.14447	148.9
[M+NH4]+	207.18557	164.8
[M+K]+	228.11491	147.7
[M+H-H2O]+	172.14901	137.8
[M+HCOO]-	234.14995	170.7
[M+CH3COO]-	248.16560	189.6
[M+Na-2H]-	210.12642	151.6
[M]+	189.15120	146.4
[M]-	189.15230	146.4

Literature stripe

literature stripe

Patent stripe

patents stripe