CID 124912

62069-75-4

Structural Information

Molecular Formula
C12H12N2O10
SMILES
C1CC(=O)N(C1=O)OC(=O)[C@@H]([C@H](C(=O)ON2C(=O)CCC2=O)O)O
InChI
InChI=1S/C12H12N2O10/c15-5-1-2-6(16)13(5)23-11(21)9(19)10(20)12(22)24-14-7(17)3-4-8(14)18/h9-10,19-20H,1-4H2/t9-,10-/m1/s1
InChIKey
NXVYSVARUKNFNF-NXEZZACHSA-N
Compound name
bis(2,5-dioxopyrrolidin-1-yl) (2R,3R)-2,3-dihydroxybutanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

19
References

1722
Patents

344.0492 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.05648 164.8
[M+Na]+ 367.03842 169.2
[M-H]- 343.04192 166.5
[M+NH4]+ 362.08302 176.4
[M+K]+ 383.01236 170.5
[M+H-H2O]+ 327.04646 159.0
[M+HCOO]- 389.04740 178.9
[M+CH3COO]- 403.06305 203.2
[M+Na-2H]- 365.02387 159.4
[M]+ 344.04865 165.5
[M]- 344.04975 165.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe