CID 14253535

Methyl (2s,3as,7as)-octahydro-1h-indole-2-carboxylate hydrochloride

Structural Information

Molecular Formula
C10H17NO2
SMILES
COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1
InChI
InChI=1S/C10H17NO2/c1-13-10(12)9-6-7-4-2-3-5-8(7)11-9/h7-9,11H,2-6H2,1H3/t7-,8-,9-/m0/s1
InChIKey
OITFEJDUSSGRIH-CIUDSAMLSA-N
Compound name
methyl (2S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
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 142.7
[M+Na]+ 206.11515 147.4
[M-H]- 182.11865 143.3
[M+NH4]+ 201.15975 163.1
[M+K]+ 222.08909 145.4
[M+H-H2O]+ 166.12319 136.7
[M+HCOO]- 228.12413 158.5
[M+CH3COO]- 242.13978 177.7
[M+Na-2H]- 204.10060 144.5
[M]+ 183.12538 137.2
[M]- 183.12648 137.2
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

patents stripe