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]+ 184.133206 143.4
[M+Na]+ 206.115148 148.1
[M-H]- 182.118654 144.0
[M+NH4]+ 201.159753 165.5
[M+K]+ 222.089088 146.2
[M+H-H2O]+ 166.123190 137.7
[M+HCOO]- 228.124131 159.2
[M+CH3COO]- 242.139781 176.1
[M+Na-2H]- 204.100596 146.9
[M]+ 183.12538142 137.7
[M]- 183.12647858 137.7
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.