CID 12678979

(2e)-n-phenyloctan-2-imine

Structural Information

Molecular Formula

C₁₄H₂₁N

SMILES

CCCCCCC(=NC1=CC=CC=C1)C

InChI

InChI=1S/C14H21N/c1-3-4-5-7-10-13(2)15-14-11-8-6-9-12-14/h6,8-9,11-12H,3-5,7,10H2,1-2H3

InChIKey

TUDBHZZQZNQGKS-UHFFFAOYSA-N

Compound name

N-phenyloctan-2-imine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 203.1674 Da
Monoisotopic Mass: 4.2
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]+	204.17468	150.5
[M+Na]+	226.15662	162.5
[M+NH4]+	221.20122	159.4
[M+K]+	242.13056	153.9
[M-H]-	202.16012	154.1
[M+Na-2H]-	224.14207	157.8
[M]+	203.16685	153.2
[M]-	203.16795	153.2

Literature stripe

literature stripe

Patent stripe

patents stripe