CID 165884

2-methyl-2-(2-nitrophenoxy)propanoic acid

Structural Information

Molecular Formula
C10H11NO5
SMILES
CC(C)(C(=O)O)OC1=CC=CC=C1[N+](=O)[O-]
InChI
InChI=1S/C10H11NO5/c1-10(2,9(12)13)16-8-6-4-3-5-7(8)11(14)15/h3-6H,1-2H3,(H,12,13)
InChIKey
ONPMYXAEDVOABR-UHFFFAOYSA-N
Compound name
2-methyl-2-(2-nitrophenoxy)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

225.06372 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.07100 144.2
[M+Na]+ 248.05294 155.3
[M+NH4]+ 243.09754 150.4
[M+K]+ 264.02688 154.7
[M-H]- 224.05644 144.9
[M+Na-2H]- 246.03839 148.9
[M]+ 225.06317 145.7
[M]- 225.06427 145.7
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