CID 73985

1321-35-3

Structural Information

Molecular Formula

C₈H₁₉N

SMILES

CC(C)CCCCCN

InChI

InChI=1S/C8H19N/c1-8(2)6-4-3-5-7-9/h8H,3-7,9H2,1-2H3

InChIKey

LPULCTXGGDJCTO-UHFFFAOYSA-N

Compound name

6-methylheptan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1734
Patents: 129.15175 Da
Monoisotopic Mass: 2.9
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]+	130.15903	133.3
[M+Na]+	152.14097	138.6
[M-H]-	128.14447	132.7
[M+NH4]+	147.18557	155.1
[M+K]+	168.11491	138.0
[M+H-H2O]+	112.14901	128.3
[M+HCOO]-	174.14995	155.8
[M+CH3COO]-	188.16560	178.2
[M+Na-2H]-	150.12642	137.2
[M]+	129.15120	132.8
[M]-	129.15230	132.8

Literature stripe

literature stripe

Patent stripe

patents stripe