CID 9815859

(2s,3as,7as)-1-methyl-octahydro-1h-indole-2-carboxylic acid

Structural Information

Molecular Formula
C10H17NO2
SMILES
CN1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O
InChI
InChI=1S/C10H17NO2/c1-11-8-5-3-2-4-7(8)6-9(11)10(12)13/h7-9H,2-6H2,1H3,(H,12,13)/t7-,8-,9-/m0/s1
InChIKey
UAWZDWSFCINKFK-CIUDSAMLSA-N
Compound name
(2S,3aS,7aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

183.12593 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.13321 141.7
[M+Na]+ 206.11515 150.4
[M+NH4]+ 201.15975 149.9
[M+K]+ 222.08909 147.4
[M-H]- 182.11865 141.8
[M+Na-2H]- 204.10060 143.2
[M]+ 183.12538 142.6
[M]- 183.12648 142.6
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

patents stripe