CID 102449

610-20-8

Structural Information

Molecular Formula
C4H4N2O10
SMILES
C(C(C(=O)O)O[N+](=O)[O-])(C(=O)O)O[N+](=O)[O-]
InChI
InChI=1S/C4H4N2O10/c7-3(8)1(15-5(11)12)2(4(9)10)16-6(13)14/h1-2H,(H,7,8)(H,9,10)
InChIKey
YIHNLKXIMXGECA-UHFFFAOYSA-N
Compound name
2,3-dinitrooxybutanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

239.98659 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.99387 156.3
[M+Na]+ 262.97581 162.6
[M-H]- 238.97931 162.6
[M+NH4]+ 258.02041 164.9
[M+K]+ 278.94975 156.3
[M+H-H2O]+ 222.98385 144.2
[M+HCOO]- 284.98479 163.6
[M+CH3COO]- 299.00044 172.5
[M+Na-2H]- 260.96126 153.7
[M]+ 239.98604 149.7
[M]- 239.98714 149.7
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