CID 7753

1,3-dimethylpentylamine

Structural Information

Molecular Formula

C₇H₁₇N

SMILES

CCC(C)CC(C)N

InChI

InChI=1S/C7H17N/c1-4-6(2)5-7(3)8/h6-7H,4-5,8H2,1-3H3

InChIKey

YAHRDLICUYEDAU-UHFFFAOYSA-N

Compound name

4-methylhexan-2-amine

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 44
References: 1464
Patents: 115.1361 Da
Monoisotopic Mass: 1.9
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]+	116.14338	129.2
[M+Na]+	138.12532	134.7
[M-H]-	114.12882	129.0
[M+NH4]+	133.16992	151.5
[M+K]+	154.09926	134.8
[M+H-H2O]+	98.133360	124.5
[M+HCOO]-	160.13430	151.0
[M+CH3COO]-	174.14995	176.0
[M+Na-2H]-	136.11077	132.3
[M]+	115.13555	127.7
[M]-	115.13665	127.7

Literature stripe

literature stripe

Patent stripe

patents stripe