CID 78194

Cycloheptanemethylamine

Structural Information

Molecular Formula

C₈H₁₇N

SMILES

C1CCCC(CC1)CN

InChI

InChI=1S/C8H17N/c9-7-8-5-3-1-2-4-6-8/h8H,1-7,9H2

InChIKey

CAOQEOHEZKVYOJ-UHFFFAOYSA-N

Compound name

cycloheptylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 581
Patents: 127.1361 Da
Monoisotopic Mass: 2.2
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]+	128.14338	124.7
[M+Na]+	150.12532	126.5
[M-H]-	126.12882	127.8
[M+NH4]+	145.16992	144.4
[M+K]+	166.09926	129.6
[M+H-H2O]+	110.13336	119.6
[M+HCOO]-	172.13430	144.7
[M+CH3COO]-	186.14995	175.9
[M+Na-2H]-	148.11077	129.4
[M]+	127.13555	115.3
[M]-	127.13665	115.3

Literature stripe

literature stripe

Patent stripe

patents stripe