CID 165734366

2-(oxetan-3-yl)-octahydropyrrolo[3,4-c]pyrrole

Structural Information

Molecular Formula
C9H16N2O
SMILES
C1C2CN(CC2CN1)C3COC3
InChI
InChI=1S/C9H16N2O/c1-7-3-11(9-5-12-6-9)4-8(7)2-10-1/h7-10H,1-6H2
InChIKey
DVABRBXLGNBGLB-UHFFFAOYSA-N
Compound name
5-(oxetan-3-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.12627 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.13355 135.0
[M+Na]+ 191.11549 139.2
[M+NH4]+ 186.16009 139.7
[M+K]+ 207.08943 140.0
[M-H]- 167.11899 134.6
[M+Na-2H]- 189.10094 135.0
[M]+ 168.12572 133.9
[M]- 168.12682 133.9
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.

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No patent data available for this compound.