CID 13370230

N,3-dimethylbicyclo(3.2.1)octane-3-carboxamide

Structural Information

Molecular Formula

C₁₁H₁₉NO

SMILES

CC1(CC2CCC(C2)C1)C(=O)NC

InChI

InChI=1S/C11H19NO/c1-11(10(13)12-2)6-8-3-4-9(5-8)7-11/h8-9H,3-7H2,1-2H3,(H,12,13)

InChIKey

ORZQVDDPQQVBJE-UHFFFAOYSA-N

Compound name

N,3-dimethylbicyclo[3.2.1]octane-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 181.14667 Da
Monoisotopic Mass: 2.3
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]+	182.153946	142.6
[M+Na]+	204.135888	147.9
[M-H]-	180.139394	144.8
[M+NH4]+	199.180493	167.7
[M+K]+	220.109828	145.8
[M+H-H2O]+	164.143930	138.1
[M+HCOO]-	226.144871	161.4
[M+CH3COO]-	240.160521	184.3
[M+Na-2H]-	202.121336	147.0
[M]+	181.14612142	138.8
[M]-	181.14721858	138.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe