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]+ 184.133206 142.2
[M+Na]+ 206.115148 147.7
[M-H]- 182.118654 143.1
[M+NH4]+ 201.159753 162.8
[M+K]+ 222.089088 145.6
[M+H-H2O]+ 166.123190 136.5
[M+HCOO]- 228.124131 157.9
[M+CH3COO]- 242.139781 179.6
[M+Na-2H]- 204.100596 143.3
[M]+ 183.12538142 137.1
[M]- 183.12647858 137.1
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

patents stripe