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 129.7
[M+Na]+ 191.11549 133.9
[M-H]- 167.11899 133.2
[M+NH4]+ 186.16009 143.4
[M+K]+ 207.08943 135.9
[M+H-H2O]+ 151.12353 119.0
[M+HCOO]- 213.12447 145.0
[M+CH3COO]- 227.14012 141.4
[M+Na-2H]- 189.10094 132.2
[M]+ 168.12572 133.2
[M]- 168.12682 133.2
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.