CID 87386

2,2-dinitropropyl methacrylate

Structural Information

Molecular Formula
C7H10N2O6
SMILES
CC(=C)C(=O)OCC(C)([N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C7H10N2O6/c1-5(2)6(10)15-4-7(3,8(11)12)9(13)14/h1,4H2,2-3H3
InChIKey
QTIMQTTZBLVHIH-UHFFFAOYSA-N
Compound name
2,2-dinitropropyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

218.05388 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.06116 160.1
[M+Na]+ 241.04310 169.1
[M-H]- 217.04660 164.2
[M+NH4]+ 236.08770 169.0
[M+K]+ 257.01704 164.3
[M+H-H2O]+ 201.05114 146.7
[M+HCOO]- 263.05208 175.8
[M+CH3COO]- 277.06773 176.2
[M+Na-2H]- 239.02855 158.3
[M]+ 218.05333 157.5
[M]- 218.05443 157.5
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

patents stripe