CID 2130

Amantadine

Structural Information

Molecular Formula

C₁₀H₁₇N

SMILES

C1C2CC3CC1CC(C2)(C3)N

InChI

InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2

InChIKey

DKNWSYNQZKUICI-UHFFFAOYSA-N

Compound name

adamantan-1-amine

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 4373
References: 104690
Patents: 151.1361 Da
Monoisotopic Mass: 2.4
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]+	152.14338	134.2
[M+Na]+	174.12532	136.9
[M-H]-	150.12882	129.6
[M+NH4]+	169.16992	161.8
[M+K]+	190.09926	133.9
[M+H-H2O]+	134.13336	128.7
[M+HCOO]-	196.13430	142.8
[M+CH3COO]-	210.14995	143.9
[M+Na-2H]-	172.11077	146.0
[M]+	151.13555	131.4
[M]-	151.13665	131.4

Literature stripe

literature stripe

Patent stripe

patents stripe