CID 516775

58432-99-8

Structural Information

Molecular Formula

C₁₃H₂₁NO

SMILES

CNC(=O)C12CCCC3C1CCC(C3)C2

InChI

InChI=1S/C13H21NO/c1-14-12(15)13-6-2-3-10-7-9(8-13)4-5-11(10)13/h9-11H,2-8H2,1H3,(H,14,15)

InChIKey

HJMRXYVXEPANLV-UHFFFAOYSA-N

Compound name

N-methyltricyclo[5.3.1.03,8]undecane-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 207.16231 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]+	208.16959	145.6
[M+Na]+	230.15153	147.2
[M-H]-	206.15503	143.4
[M+NH4]+	225.19613	170.2
[M+K]+	246.12547	144.4
[M+H-H2O]+	190.15957	139.4
[M+HCOO]-	252.16051	154.8
[M+CH3COO]-	266.17616	154.8
[M+Na-2H]-	228.13698	154.6
[M]+	207.16176	141.8
[M]-	207.16286	141.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.