CID 130794629

N,n-dimethyl-octahydro-1h-isoindol-5-amine

Structural Information

Molecular Formula
C10H20N2
SMILES
CN(C)C1CCC2CNCC2C1
InChI
InChI=1S/C10H20N2/c1-12(2)10-4-3-8-6-11-7-9(8)5-10/h8-11H,3-7H2,1-2H3
InChIKey
CBTYXLKTWPUUOY-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.16264 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.16992 140.4
[M+Na]+ 191.15186 144.3
[M-H]- 167.15536 142.2
[M+NH4]+ 186.19646 161.8
[M+K]+ 207.12580 142.7
[M+H-H2O]+ 151.15990 133.8
[M+HCOO]- 213.16084 158.1
[M+CH3COO]- 227.17649 182.6
[M+Na-2H]- 189.13731 143.0
[M]+ 168.16209 133.8
[M]- 168.16319 133.8
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.