CID 53408547

(cycloheptylmethyl)(methyl)amine hydrochloride

Structural Information

Molecular Formula

C₉H₁₉N

SMILES

CNCC1CCCCCC1

InChI

InChI=1S/C9H19N/c1-10-8-9-6-4-2-3-5-7-9/h9-10H,2-8H2,1H3

InChIKey

PQPLDGDDBKJURL-UHFFFAOYSA-N

Compound name

1-cycloheptyl-N-methylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 141.15175 Da
Monoisotopic Mass: 2.7
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]+	142.159026	128.9
[M+Na]+	164.140968	130.4
[M-H]-	140.144474	132.4
[M+NH4]+	159.185573	148.4
[M+K]+	180.114908	133.5
[M+H-H2O]+	124.149010	123.7
[M+HCOO]-	186.149951	149.2
[M+CH3COO]-	200.165601	179.4
[M+Na-2H]-	162.126416	134.2
[M]+	141.15120142	120.8
[M]-	141.15229858	120.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe