CID 15544079

Ethyl 2-methyl-2-(4-nitrophenyl)propanoate

Structural Information

Molecular Formula
C12H15NO4
SMILES
CCOC(=O)C(C)(C)C1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C12H15NO4/c1-4-17-11(14)12(2,3)9-5-7-10(8-6-9)13(15)16/h5-8H,4H2,1-3H3
InChIKey
SEQTUSZKRDHNDC-UHFFFAOYSA-N
Compound name
ethyl 2-methyl-2-(4-nitrophenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

395
Patents

237.10011 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.10739 150.3
[M+Na]+ 260.08933 162.1
[M+NH4]+ 255.13393 157.1
[M+K]+ 276.06327 160.1
[M-H]- 236.09283 152.0
[M+Na-2H]- 258.07478 155.5
[M]+ 237.09956 152.3
[M]- 237.10066 152.3
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