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

369
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

literature stripe

Patent stripe

patents stripe