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

806
Patents

187.08446 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.09174 138.9
[M+Na]+ 210.07368 145.3
[M-H]- 186.07718 139.5
[M+NH4]+ 205.11828 158.0
[M+K]+ 226.04762 141.8
[M+H-H2O]+ 170.08172 139.4
[M+HCOO]- 232.08266 160.9
[M+CH3COO]- 246.09831 177.2
[M+Na-2H]- 208.05913 144.8
[M]+ 187.08391 139.5
[M]- 187.08501 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