CID 2755632

2,2,4,4-tetramethyl-3-pentanone imine

Structural Information

Molecular Formula

C₉H₁₉N

SMILES

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

InChI

InChI=1S/C9H19N/c1-8(2,3)7(10)9(4,5)6/h10H,1-6H3

InChIKey

VCMKYJMEMATQPE-UHFFFAOYSA-N

Compound name

2,2,4,4-tetramethylpentan-3-imine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 213
Patents: 141.15175 Da
Monoisotopic Mass: 2.8
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]+	142.15903	133.8
[M+Na]+	164.14097	140.2
[M-H]-	140.14447	134.5
[M+NH4]+	159.18557	155.8
[M+K]+	180.11491	139.9
[M+H-H2O]+	124.14901	130.3
[M+HCOO]-	186.14995	153.9
[M+CH3COO]-	200.16560	180.3
[M+Na-2H]-	162.12642	139.8
[M]+	141.15120	133.0
[M]-	141.15230	133.0

Literature stripe

literature stripe

Patent stripe

patents stripe