CID 44596

63690-13-1

Structural Information

Molecular Formula

C₈H₁₉N

SMILES

CC(C)CCC(C)NC

InChI

InChI=1S/C8H19N/c1-7(2)5-6-8(3)9-4/h7-9H,5-6H2,1-4H3

InChIKey

VFQPKDNSCZTUMI-UHFFFAOYSA-N

Compound name

N,5-dimethylhexan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 129.15175 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]+	130.15903	133.4
[M+Na]+	152.14097	138.4
[M-H]-	128.14447	133.4
[M+NH4]+	147.18557	155.3
[M+K]+	168.11491	138.6
[M+H-H2O]+	112.14901	128.5
[M+HCOO]-	174.14995	155.5
[M+CH3COO]-	188.16560	179.8
[M+Na-2H]-	150.12642	137.0
[M]+	129.15120	133.2
[M]-	129.15230	133.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe