CID 53471469

13358-19-5

Structural Information

Molecular Formula

C₁₂H₂₁NO

SMILES

COC12CC3CC(C1)CC(C3)(C2)CN

InChI

InChI=1S/C12H21NO/c1-14-12-5-9-2-10(6-12)4-11(3-9,7-12)8-13/h9-10H,2-8,13H2,1H3

InChIKey

SZOAOLJFTBJMMU-UHFFFAOYSA-N

Compound name

(3-methoxy-1-adamantyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 195.16231 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]+	196.169586	148.0
[M+Na]+	218.151528	150.9
[M-H]-	194.155034	143.1
[M+NH4]+	213.196133	175.6
[M+K]+	234.125468	147.7
[M+H-H2O]+	178.159570	141.7
[M+HCOO]-	240.160511	155.8
[M+CH3COO]-	254.176161	156.9
[M+Na-2H]-	216.136976	159.5
[M]+	195.16176142	147.5
[M]-	195.16285858	147.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.