CID 44814637

Methyl (3ar,7ar)-4-oxooctahydro-1hindole-1-carboxylate

Structural Information

Molecular Formula
C10H15NO3
SMILES
COC(=O)N1CC[C@@H]2[C@H]1CCCC2=O
InChI
InChI=1S/C10H15NO3/c1-14-10(13)11-6-5-7-8(11)3-2-4-9(7)12/h7-8H,2-6H2,1H3/t7-,8-/m1/s1
InChIKey
NZYYBAHLELETLF-HTQZYQBOSA-N
Compound name
methyl (3aR,7aR)-4-oxo-3,3a,5,6,7,7a-hexahydro-2H-indole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

197.1052 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.11248 143.3
[M+Na]+ 220.09442 149.6
[M-H]- 196.09792 145.7
[M+NH4]+ 215.13902 164.1
[M+K]+ 236.06836 148.4
[M+H-H2O]+ 180.10246 137.4
[M+HCOO]- 242.10340 161.0
[M+CH3COO]- 256.11905 182.1
[M+Na-2H]- 218.07987 145.1
[M]+ 197.10465 140.7
[M]- 197.10575 140.7
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

patents stripe