CID 68019343

Rac-(4ar,7as)-4-methyl-octahydropyrrolo[3,4-b]morpholine

Structural Information

Molecular Formula
C7H14N2O
SMILES
CN1CCO[C@H]2[C@@H]1CNC2
InChI
InChI=1S/C7H14N2O/c1-9-2-3-10-7-5-8-4-6(7)9/h6-8H,2-5H2,1H3/t6-,7+/m0/s1
InChIKey
PZUZDNGNEFEKNJ-NKWVEPMBSA-N
Compound name
(4aS,7aR)-4-methyl-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

142.11061 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.11789 130.8
[M+Na]+ 165.09983 136.9
[M-H]- 141.10333 130.9
[M+NH4]+ 160.14443 150.4
[M+K]+ 181.07377 136.1
[M+H-H2O]+ 125.10787 124.3
[M+HCOO]- 187.10881 146.0
[M+CH3COO]- 201.12446 142.8
[M+Na-2H]- 163.08528 135.9
[M]+ 142.11006 125.3
[M]- 142.11116 125.3
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.