CID 23003862

873537-23-6

Structural Information

Molecular Formula

C₈H₁₆N₂O

SMILES

CC(=O)NC1CCC(CC1)N

InChI

InChI=1S/C8H16N2O/c1-6(11)10-8-4-2-7(9)3-5-8/h7-8H,2-5,9H2,1H3,(H,10,11)

InChIKey

DGCIBJXJCNPBTN-UHFFFAOYSA-N

Compound name

N-(4-aminocyclohexyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 310
Patents: 156.12627 Da
Monoisotopic Mass: -0.1
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]+	157.13355	135.3
[M+Na]+	179.11549	139.4
[M-H]-	155.11899	137.8
[M+NH4]+	174.16009	155.3
[M+K]+	195.08943	138.3
[M+H-H2O]+	139.12353	129.4
[M+HCOO]-	201.12447	156.6
[M+CH3COO]-	215.14012	181.0
[M+Na-2H]-	177.10094	138.6
[M]+	156.12572	128.4
[M]-	156.12682	128.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe