CID 126787152

1865205-84-0

Structural Information

Molecular Formula
C8H14N2O2
SMILES
CC(=O)N1CCOC2C1CNC2
InChI
InChI=1S/C8H14N2O2/c1-6(11)10-2-3-12-8-5-9-4-7(8)10/h7-9H,2-5H2,1H3
InChIKey
PAFLJSQENSIAIJ-UHFFFAOYSA-N
Compound name
1-(3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-4-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.10553 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.11281 138.0
[M+Na]+ 193.09475 146.9
[M+NH4]+ 188.13935 145.5
[M+K]+ 209.06869 144.7
[M-H]- 169.09825 138.5
[M+Na-2H]- 191.08020 139.2
[M]+ 170.10498 139.0
[M]- 170.10608 139.0
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.