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]+ 169.169916 140.4
[M+Na]+ 191.151858 144.3
[M-H]- 167.155364 142.2
[M+NH4]+ 186.196463 161.8
[M+K]+ 207.125798 142.7
[M+H-H2O]+ 151.159900 133.8
[M+HCOO]- 213.160841 158.1
[M+CH3COO]- 227.176491 182.6
[M+Na-2H]- 189.137306 143.0
[M]+ 168.16209142 133.8
[M]- 168.16318858 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.