CID 513035

158833-04-6

Structural Information

Molecular Formula

C₁₂H₁₉N

SMILES

C1C2CC3CC1CC(C2)C34CC4N

InChI

InChI=1S/C12H19N/c13-11-6-12(11)9-2-7-1-8(4-9)5-10(12)3-7/h7-11H,1-6,13H2

InChIKey

XJTIDXPZOZLYHF-UHFFFAOYSA-N

Compound name

spiro[adamantane-2,2'-cyclopropane]-1'-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 36
Patents: 177.15175 Da
Monoisotopic Mass: 2.7
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]+	178.159026	139.8
[M+Na]+	200.140968	145.0
[M-H]-	176.144474	138.8
[M+NH4]+	195.185573	161.4
[M+K]+	216.114908	140.6
[M+H-H2O]+	160.149010	133.2
[M+HCOO]-	222.149951	147.1
[M+CH3COO]-	236.165601	149.2
[M+Na-2H]-	198.126416	149.9
[M]+	177.15120142	139.7
[M]-	177.15229858	139.7

Literature stripe

literature stripe

Patent stripe

patents stripe