CID 10756264

173604-87-0

Structural Information

Molecular Formula
C12H9NO8
SMILES
CC1=C(OC(=O)O1)COC(=O)OC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C12H9NO8/c1-7-10(21-12(15)19-7)6-18-11(14)20-9-4-2-8(3-5-9)13(16)17/h2-5H,6H2,1H3
InChIKey
MZGIKNSLLFWGKL-UHFFFAOYSA-N
Compound name
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl (4-nitrophenyl) carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

331
Patents

295.0328 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.04008 159.9
[M+Na]+ 318.02202 167.8
[M-H]- 294.02552 169.1
[M+NH4]+ 313.06662 173.2
[M+K]+ 333.99596 165.4
[M+H-H2O]+ 278.03006 157.6
[M+HCOO]- 340.03100 185.2
[M+CH3COO]- 354.04665 191.8
[M+Na-2H]- 316.00747 167.2
[M]+ 295.03225 166.2
[M]- 295.03335 166.2
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.