CID 21117774

Schembl9950848

Structural Information

Molecular Formula

C₁₈H₃₆N₂

SMILES

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

InChI

InChI=1S/C18H36N2/c1-15(2)13-17(5)19-11-9-7-8-10-12-20-18(6)14-16(3)4/h15-16H,7-14H2,1-6H3

InChIKey

DNELCOAAXRBKCM-UHFFFAOYSA-N

Compound name

4-methyl-N-[6-(4-methylpentan-2-ylideneamino)hexyl]pentan-2-imine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 280.28784 Da
Monoisotopic Mass: 3.9
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]+	281.295116	181.0
[M+Na]+	303.277058	182.2
[M-H]-	279.280564	182.2
[M+NH4]+	298.321663	197.8
[M+K]+	319.250998	181.3
[M+H-H2O]+	263.285100	173.5
[M+HCOO]-	325.286041	202.2
[M+CH3COO]-	339.301691	218.6
[M+Na-2H]-	301.262506	178.0
[M]+	280.28729142	184.9
[M]-	280.28838858	184.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe