CID 57773982

2-(((4-nitrophenoxy)carbonyl)oxy)ethyl methacrylate

Structural Information

Molecular Formula
C13H13NO7
SMILES
CC(=C)C(=O)OCCOC(=O)OC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C13H13NO7/c1-9(2)12(15)19-7-8-20-13(16)21-11-5-3-10(4-6-11)14(17)18/h3-6H,1,7-8H2,2H3
InChIKey
AQIDUOGOBUBBOB-UHFFFAOYSA-N
Compound name
2-(4-nitrophenoxy)carbonyloxyethyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

295.0692 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.07648 163.2
[M+Na]+ 318.05842 168.2
[M-H]- 294.06192 166.5
[M+NH4]+ 313.10302 177.1
[M+K]+ 334.03236 164.1
[M+H-H2O]+ 278.06646 160.7
[M+HCOO]- 340.06740 186.2
[M+CH3COO]- 354.08305 193.4
[M+Na-2H]- 316.04387 166.5
[M]+ 295.06865 166.4
[M]- 295.06975 166.4
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