CID 4434154

Ethyl 2,2-dimethyl-3-nitropropanoate

Structural Information

Molecular Formula
C7H13NO4
SMILES
CCOC(=O)C(C)(C)C[N+](=O)[O-]
InChI
InChI=1S/C7H13NO4/c1-4-12-6(9)7(2,3)5-8(10)11/h4-5H2,1-3H3
InChIKey
CXDGMDLJYJCXFD-UHFFFAOYSA-N
Compound name
ethyl 2,2-dimethyl-3-nitropropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.08446 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.09174 135.2
[M+Na]+ 198.07368 144.8
[M+NH4]+ 193.11828 141.5
[M+K]+ 214.04762 144.1
[M-H]- 174.07718 134.1
[M+Na-2H]- 196.05913 137.5
[M]+ 175.08391 135.9
[M]- 175.08501 135.9
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

No patent data available for this compound.