CID 2817797

59940-35-1

Structural Information

Molecular Formula

C₁₄H₂₂N₂O₂

SMILES

CC(=O)NC12CC3CC(C1)CC(C3)(C2)NC(=O)C

InChI

InChI=1S/C14H22N2O2/c1-9(17)15-13-4-11-3-12(5-13)7-14(6-11,8-13)16-10(2)18/h11-12H,3-8H2,1-2H3,(H,15,17)(H,16,18)

InChIKey

IDKMCHZWZPAIGE-UHFFFAOYSA-N

Compound name

N-(3-acetamido-1-adamantyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 250.16812 Da
Monoisotopic Mass: 0.8
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]+	251.17540	159.0
[M+Na]+	273.15734	164.8
[M+NH4]+	268.20194	171.3
[M+K]+	289.13128	155.2
[M-H]-	249.16084	156.4
[M+Na-2H]-	271.14279	156.2
[M]+	250.16757	159.0
[M]-	250.16867	159.0

Literature stripe

literature stripe

Patent stripe

patents stripe