CID 64248

2-oxo-1-adamantaneacetamide

Structural Information

Molecular Formula

C₁₂H₁₇NO₂

SMILES

C1C2CC3CC1CC(C2)(C3=O)CC(=O)N

InChI

InChI=1S/C12H17NO2/c13-10(14)6-12-4-7-1-8(5-12)3-9(2-7)11(12)15/h7-9H,1-6H2,(H2,13,14)

InChIKey

ZJAXUEIBAOYTPD-UHFFFAOYSA-N

Compound name

2-(2-oxo-1-adamantyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 207.12593 Da
Monoisotopic Mass: 0.5
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]+	208.13321	147.7
[M+Na]+	230.11515	150.3
[M-H]-	206.11865	142.6
[M+NH4]+	225.15975	172.9
[M+K]+	246.08909	147.4
[M+H-H2O]+	190.12319	142.3
[M+HCOO]-	252.12413	155.0
[M+CH3COO]-	266.13978	156.5
[M+Na-2H]-	228.10060	157.1
[M]+	207.12538	146.8
[M]-	207.12648	146.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe