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: 32
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]+	178.15903	135.7
[M+Na]+	200.14097	147.3
[M+NH4]+	195.18557	150.3
[M+K]+	216.11491	139.3
[M-H]-	176.14447	143.7
[M+Na-2H]-	198.12642	138.0
[M]+	177.15120	140.9
[M]-	177.15230	140.9

Literature stripe

literature stripe

Patent stripe

patents stripe