CID 340747

Nsc371822

Structural Information

Molecular Formula
C11H14N2O6
SMILES
CC1(C2C(C(N1)C(=O)OC)C(=O)NC2=O)C(=O)OC
InChI
InChI=1S/C11H14N2O6/c1-11(10(17)19-3)5-4(7(14)12-8(5)15)6(13-11)9(16)18-2/h4-6,13H,1-3H3,(H,12,14,15)
InChIKey
BGJVXQABQJFUEO-UHFFFAOYSA-N
Compound name
dimethyl 3-methyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.08517 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.09245 156.6
[M+Na]+ 293.07439 164.8
[M-H]- 269.07789 156.3
[M+NH4]+ 288.11899 175.5
[M+K]+ 309.04833 163.1
[M+H-H2O]+ 253.08243 152.6
[M+HCOO]- 315.08337 171.7
[M+CH3COO]- 329.09902 191.0
[M+Na-2H]- 291.05984 155.4
[M]+ 270.08462 156.9
[M]- 270.08572 156.9
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.

Patent stripe

No patent data available for this compound.