CID 303813

(adamantan-2-yl)methanamine

Structural Information

Molecular Formula

C₁₁H₁₉N

SMILES

C1C2CC3CC1CC(C2)C3CN

InChI

InChI=1S/C11H19N/c12-6-11-9-2-7-1-8(4-9)5-10(11)3-7/h7-11H,1-6,12H2

InChIKey

UIIZRVWVFJSCHN-UHFFFAOYSA-N

Compound name

2-adamantylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 171
Patents: 165.15175 Da
Monoisotopic Mass: 2.6
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]+	166.15903	137.5
[M+Na]+	188.14097	139.5
[M-H]-	164.14447	132.7
[M+NH4]+	183.18557	162.9
[M+K]+	204.11491	136.5
[M+H-H2O]+	148.14901	132.4
[M+HCOO]-	210.14995	145.9
[M+CH3COO]-	224.16560	146.8
[M+Na-2H]-	186.12642	147.5
[M]+	165.15120	135.1
[M]-	165.15230	135.1

Literature stripe

literature stripe

Patent stripe

patents stripe