CID 19083263

3,4-dimethylhexan-1-amine hydrochloride

Structural Information

Molecular Formula

C₈H₁₉N

SMILES

CCC(C)C(C)CCN

InChI

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

InChIKey

BMRPIHRBNXNHFS-UHFFFAOYSA-N

Compound name

3,4-dimethylhexan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
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	131.9
[M+Na]+	152.14097	140.8
[M+NH4]+	147.18557	140.1
[M+K]+	168.11491	135.6
[M-H]-	128.14447	132.2
[M+Na-2H]-	150.12642	135.0
[M]+	129.15120	133.0
[M]-	129.15230	133.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe