CID 4686857

2-methyl-2-nitropropyl methacrylate

Structural Information

Molecular Formula
C8H13NO4
SMILES
CC(=C)C(=O)OCC(C)(C)[N+](=O)[O-]
InChI
InChI=1S/C8H13NO4/c1-6(2)7(10)13-5-8(3,4)9(11)12/h1,5H2,2-4H3
InChIKey
CXOOGGOQFGCERQ-UHFFFAOYSA-N
Compound name
(2-methyl-2-nitropropyl) 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

852
Patents

187.08446 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.091736 138.9
[M+Na]+ 210.073678 145.3
[M-H]- 186.077184 139.5
[M+NH4]+ 205.118283 158.0
[M+K]+ 226.047618 141.8
[M+H-H2O]+ 170.081720 139.4
[M+HCOO]- 232.082661 160.9
[M+CH3COO]- 246.098311 177.2
[M+Na-2H]- 208.059126 144.8
[M]+ 187.08391142 139.5
[M]- 187.08500858 139.5
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