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]+ 169.097146 135.7
[M+Na]+ 191.079088 145.1
[M-H]- 167.082594 135.3
[M+NH4]+ 186.123693 160.7
[M+K]+ 207.053028 141.8
[M+H-H2O]+ 151.087130 131.6
[M+HCOO]- 213.088071 152.8
[M+CH3COO]- 227.103721 171.5
[M+Na-2H]- 189.064536 139.6
[M]+ 168.08932142 131.5
[M]- 168.09041858 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.