CID 58760787

3a,6a-dimethyl-octahydropyrrolo[3,4-c]pyrrole-1,3-dione hydrochloride

Structural Information

Molecular Formula
C8H12N2O2
SMILES
CC12CNCC1(C(=O)NC2=O)C
InChI
InChI=1S/C8H12N2O2/c1-7-3-9-4-8(7,2)6(12)10-5(7)11/h9H,3-4H2,1-2H3,(H,10,11,12)
InChIKey
ZNVONELTMHYLKJ-UHFFFAOYSA-N
Compound name
3a,6a-dimethyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.08987 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.09715 135.7
[M+Na]+ 191.07909 145.1
[M-H]- 167.08259 135.3
[M+NH4]+ 186.12369 160.7
[M+K]+ 207.05303 141.8
[M+H-H2O]+ 151.08713 131.6
[M+HCOO]- 213.08807 152.8
[M+CH3COO]- 227.10372 171.5
[M+Na-2H]- 189.06454 139.6
[M]+ 168.08932 131.5
[M]- 168.09042 131.5
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.