CID 155819837

Rac-methyl (4ar,7as)-octahydropyrano[2,3-c]pyrrole-4a-carboxylate hydrochloride

Structural Information

Molecular Formula
C9H15NO3
SMILES
COC(=O)[C@@]12CCCO[C@@H]1CNC2
InChI
InChI=1S/C9H15NO3/c1-12-8(11)9-3-2-4-13-7(9)5-10-6-9/h7,10H,2-6H2,1H3/t7-,9-/m1/s1
InChIKey
YBUPBXAVLZHGKY-VXNVDRBHSA-N
Compound name
methyl (4aR,7aS)-3,4,5,6,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrole-4a-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.1052 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.112476 140.5
[M+Na]+ 208.094418 145.7
[M-H]- 184.097924 141.9
[M+NH4]+ 203.139023 161.3
[M+K]+ 224.068358 145.5
[M+H-H2O]+ 168.102460 135.1
[M+HCOO]- 230.103401 156.0
[M+CH3COO]- 244.119051 175.2
[M+Na-2H]- 206.079866 145.6
[M]+ 185.10465142 136.6
[M]- 185.10574858 136.6
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

No patent data available for this compound.