CID 137964467

Rac-methyl (1r,3as,7ar)-octahydro-1h-isoindole-1-carboxylate hydrochloride

Structural Information

Molecular Formula
C10H17NO2
SMILES
COC(=O)[C@H]1[C@@H]2CCCC[C@@H]2CN1
InChI
InChI=1S/C10H17NO2/c1-13-10(12)9-8-5-3-2-4-7(8)6-11-9/h7-9,11H,2-6H2,1H3/t7-,8-,9-/m1/s1
InChIKey
VJGKVROVZCFOSA-IWSPIJDZSA-N
Compound name
methyl (1R,3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.12593 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.13321 142.4
[M+Na]+ 206.11515 150.7
[M+NH4]+ 201.15975 150.5
[M+K]+ 222.08909 147.4
[M-H]- 182.11865 142.4
[M+Na-2H]- 204.10060 144.1
[M]+ 183.12538 143.1
[M]- 183.12648 143.1
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.