CID 37568

36888-36-5

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	161.5
[M+Na]+	247.21447	164.8
[M-H]-	223.21797	163.4
[M+NH4]+	242.25907	180.8
[M+K]+	263.18841	164.0
[M+H-H2O]+	207.22251	154.6
[M+HCOO]-	269.22345	186.1
[M+CH3COO]-	283.23910	205.0
[M+Na-2H]-	245.19992	163.2
[M]+	224.22470	165.2
[M]-	224.22580	165.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe