CID 276275

N-methylcycloheptanamine hydrochloride

Structural Information

Molecular Formula

C₈H₁₇N

SMILES

CNC1CCCCCC1

InChI

InChI=1S/C8H17N/c1-9-8-6-4-2-3-5-7-8/h8-9H,2-7H2,1H3

InChIKey

LRXSDHDEISIWQB-UHFFFAOYSA-N

Compound name

N-methylcycloheptanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 517
Patents: 127.1361 Da
Monoisotopic Mass: 2.1
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]+	128.143376	124.5
[M+Na]+	150.125318	126.4
[M-H]-	126.128824	128.2
[M+NH4]+	145.169923	144.5
[M+K]+	166.099258	129.8
[M+H-H2O]+	110.133360	119.5
[M+HCOO]-	172.134301	145.2
[M+CH3COO]-	186.149951	176.5
[M+Na-2H]-	148.110766	130.3
[M]+	127.13555142	116.1
[M]-	127.13664858	116.1

Literature stripe

literature stripe

Patent stripe

patents stripe