CID 97853

32781-26-3

Structural Information

Molecular Formula

C₁₂H₂₅N

SMILES

CC(C)CC(C)N=C(C)CC(C)C

InChI

InChI=1S/C12H25N/c1-9(2)7-11(5)13-12(6)8-10(3)4/h9-11H,7-8H2,1-6H3

InChIKey

ZWRIUQCTICLUCX-UHFFFAOYSA-N

Compound name

4-methyl-N-(4-methylpentan-2-yl)pentan-2-imine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 183.1987 Da
Monoisotopic Mass: 3.4
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]+	184.205976	150.0
[M+Na]+	206.187918	153.8
[M-H]-	182.191424	151.1
[M+NH4]+	201.232523	170.5
[M+K]+	222.161858	154.2
[M+H-H2O]+	166.195960	144.4
[M+HCOO]-	228.196901	170.6
[M+CH3COO]-	242.212551	194.8
[M+Na-2H]-	204.173366	149.6
[M]+	183.19815142	151.3
[M]-	183.19924858	151.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe