CID 117276

25756-29-0

Structural Information

Molecular Formula

C₈H₁₇N

SMILES

CNCC1CCCCC1

InChI

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

InChIKey

IWHLPMBLJZJCJK-UHFFFAOYSA-N

Compound name

1-cyclohexyl-N-methylmethanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1128
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	129.2
[M+Na]+	150.12532	139.3
[M+NH4]+	145.16992	138.9
[M+K]+	166.09926	132.4
[M-H]-	126.12882	132.4
[M+Na-2H]-	148.11077	135.2
[M]+	127.13555	131.3
[M]-	127.13665	131.3

Literature stripe

literature stripe

Patent stripe

patents stripe