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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.23253 157.5
[M+Na]+ 247.21447 165.8
[M+NH4]+ 242.25907 166.6
[M+K]+ 263.18841 160.3
[M-H]- 223.21797 160.0
[M+Na-2H]- 245.19992 160.1
[M]+ 224.22470 159.1
[M]- 224.22580 159.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.