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]+ 190.10739 139.0
[M+Na]+ 212.08933 145.9
[M-H]- 188.09283 140.0
[M+NH4]+ 207.13393 158.5
[M+K]+ 228.06327 143.0
[M+H-H2O]+ 172.09737 140.2
[M+HCOO]- 234.09831 160.4
[M+CH3COO]- 248.11396 177.2
[M+Na-2H]- 210.07478 147.5
[M]+ 189.09956 140.4
[M]- 189.10066 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.