CID 3542088

Tert-butyl 2-methyl-2-nitropropionate

Structural Information

Molecular Formula
C8H15NO4
SMILES
CC(C)(C)OC(=O)C(C)(C)[N+](=O)[O-]
InChI
InChI=1S/C8H15NO4/c1-7(2,3)13-6(10)8(4,5)9(11)12/h1-5H3
InChIKey
ARUQUOQAOGPTLW-UHFFFAOYSA-N
Compound name
tert-butyl 2-methyl-2-nitropropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.10011 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.107386 139.0
[M+Na]+ 212.089328 145.9
[M-H]- 188.092834 140.0
[M+NH4]+ 207.133933 158.5
[M+K]+ 228.063268 143.0
[M+H-H2O]+ 172.097370 140.2
[M+HCOO]- 234.098311 160.4
[M+CH3COO]- 248.113961 177.2
[M+Na-2H]- 210.074776 147.5
[M]+ 189.09956142 140.4
[M]- 189.10065858 140.4
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

No patent data available for this compound.