CID 137935246

2253640-51-4

Structural Information

Molecular Formula
C10H17NO2
SMILES
COC(=O)[C@@]12CCCC[C@@H]1NCC2
InChI
InChI=1S/C10H17NO2/c1-13-9(12)10-5-3-2-4-8(10)11-7-6-10/h8,11H,2-7H2,1H3/t8-,10+/m0/s1
InChIKey
PMDTYTRZHXBKRK-WCBMZHEXSA-N
Compound name
methyl (3aR,7aS)-1,2,3,4,5,6,7,7a-octahydroindole-3a-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.12593 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.13321 143.7
[M+Na]+ 206.11515 151.8
[M+NH4]+ 201.15975 153.2
[M+K]+ 222.08909 146.5
[M-H]- 182.11865 143.6
[M+Na-2H]- 204.10060 147.1
[M]+ 183.12538 144.6
[M]- 183.12648 144.6
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.