CID 371824

3-fluoro-1-adamantanecarboxamide

Structural Information

Molecular Formula

C₁₁H₁₆FNO

SMILES

C1C2CC3(CC1CC(C2)(C3)F)C(=O)N

InChI

InChI=1S/C11H16FNO/c12-11-4-7-1-8(5-11)3-10(2-7,6-11)9(13)14/h7-8H,1-6H2,(H2,13,14)

InChIKey

FDBCIAOKTXUPKU-UHFFFAOYSA-N

Compound name

3-fluoroadamantane-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 197.1216 Da
Monoisotopic Mass: 1.3
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]+	198.12888	146.6
[M+Na]+	220.11082	150.0
[M-H]-	196.11432	140.5
[M+NH4]+	215.15542	174.0
[M+K]+	236.08476	146.5
[M+H-H2O]+	180.11886	139.9
[M+HCOO]-	242.11980	152.8
[M+CH3COO]-	256.13545	155.3
[M+Na-2H]-	218.09627	156.9
[M]+	197.12105	143.5
[M]-	197.12215	143.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe