CID 99792

73855-67-1

Structural Information

Molecular Formula

C₁₄H₂₈N₂

SMILES

CCN(CC)CCN1CC2CCCCC2C1

InChI

InChI=1S/C14H28N2/c1-3-15(4-2)9-10-16-11-13-7-5-6-8-14(13)12-16/h13-14H,3-12H2,1-2H3

InChIKey

LDWNBSDGQACSSP-UHFFFAOYSA-N

Compound name

2-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-N,N-diethylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 224.22525 Da
Monoisotopic Mass: 2.9
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]+	225.23253	158.4
[M+Na]+	247.21447	161.0
[M-H]-	223.21797	160.8
[M+NH4]+	242.25907	178.3
[M+K]+	263.18841	159.2
[M+H-H2O]+	207.22251	150.7
[M+HCOO]-	269.22345	176.2
[M+CH3COO]-	283.23910	197.3
[M+Na-2H]-	245.19992	159.2
[M]+	224.22470	155.1
[M]-	224.22580	155.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe