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

1
Patents

168.12627 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.133546 129.7
[M+Na]+ 191.115488 133.9
[M-H]- 167.118994 133.2
[M+NH4]+ 186.160093 143.4
[M+K]+ 207.089428 135.9
[M+H-H2O]+ 151.123530 119.0
[M+HCOO]- 213.124471 145.0
[M+CH3COO]- 227.140121 141.4
[M+Na-2H]- 189.100936 132.2
[M]+ 168.12572142 133.2
[M]- 168.12681858 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

patents stripe