CID 21421303

1-(1-methylcyclohexyl)ethan-1-amine

Structural Information

Molecular Formula

C₉H₁₉N

SMILES

CC(C1(CCCCC1)C)N

InChI

InChI=1S/C9H19N/c1-8(10)9(2)6-4-3-5-7-9/h8H,3-7,10H2,1-2H3

InChIKey

VZQYSLQGEVNWHD-UHFFFAOYSA-N

Compound name

1-(1-methylcyclohexyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 141.15175 Da
Monoisotopic Mass: 2.5
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]+	142.15903	134.2
[M+Na]+	164.14097	143.7
[M+NH4]+	159.18557	145.0
[M+K]+	180.11491	135.9
[M-H]-	140.14447	137.0
[M+Na-2H]-	162.12642	140.7
[M]+	141.15120	136.3
[M]-	141.15230	136.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe