CID 64153

1-acetamidoadamantane

Structural Information

Molecular Formula

C₁₂H₁₉NO

SMILES

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

InChI

InChI=1S/C12H19NO/c1-8(14)13-12-5-9-2-10(6-12)4-11(3-9)7-12/h9-11H,2-7H2,1H3,(H,13,14)

InChIKey

BCVXYGJCDZPKGV-UHFFFAOYSA-N

Compound name

N-(1-adamantyl)acetamide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 4
References: 1035
Patents: 193.14667 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]+	194.15395	144.1
[M+Na]+	216.13589	152.5
[M+NH4]+	211.18049	157.0
[M+K]+	232.10983	143.4
[M-H]-	192.13939	142.7
[M+Na-2H]-	214.12134	141.6
[M]+	193.14612	144.9
[M]-	193.14722	144.9

Literature stripe

literature stripe

Patent stripe

patents stripe