CID 37568

N,n'-bis(1-methylpropylidene)-1,6-hexanediamine

Structural Information

Molecular Formula

C₁₄H₂₈N₂

SMILES

CCC(=NCCCCCCN=C(C)CC)C

InChI

InChI=1S/C14H28N2/c1-5-13(3)15-11-9-7-8-10-12-16-14(4)6-2/h5-12H2,1-4H3

InChIKey

COEITCNWTMGMTR-UHFFFAOYSA-N

Compound name

N-[6-(butan-2-ylideneamino)hexyl]butan-2-imine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 224.22525 Da
Monoisotopic Mass: 2.3
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]+	225.23253	160.5
[M+Na]+	247.21447	168.4
[M+NH4]+	242.25907	167.5
[M+K]+	263.18841	161.1
[M-H]-	223.21797	161.5
[M+Na-2H]-	245.19992	163.1
[M]+	224.22470	161.6
[M]-	224.22580	161.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe