CID 3010144

N-methyl[?]amine

Structural Information

Molecular Formula

C₁₂H₂₁N

SMILES

CNC12CCC3CC(C1)CC(C3)C2

InChI

InChI=1S/C12H21N/c1-13-12-3-2-9-4-10(7-12)6-11(5-9)8-12/h9-11,13H,2-8H2,1H3

InChIKey

ITEWZJWYTSAIFB-UHFFFAOYSA-N

Compound name

N-methyltricyclo[4.3.1.13,8]undecan-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 179.1674 Da
Monoisotopic Mass: 2.8
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]+	180.17468	151.9
[M+Na]+	202.15662	158.6
[M-H]-	178.16012	152.9
[M+NH4]+	197.20122	175.4
[M+K]+	218.13056	152.4
[M+H-H2O]+	162.16466	152.7
[M+HCOO]-	224.16560	161.2
[M+CH3COO]-	238.18125	161.0
[M+Na-2H]-	200.14207	162.2
[M]+	179.16685	149.1
[M]-	179.16795	149.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.