CID 595844

2-methyl-2-(2-nitrophenyl)propanoic acid

Structural Information

Molecular Formula
C10H11NO4
SMILES
CC(C)(C1=CC=CC=C1[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C10H11NO4/c1-10(2,9(12)13)7-5-3-4-6-8(7)11(14)15/h3-6H,1-2H3,(H,12,13)
InChIKey
MBYUEHBQZXQBKX-UHFFFAOYSA-N
Compound name
2-methyl-2-(2-nitrophenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

209.0688 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.07608 141.5
[M+Na]+ 232.05802 153.1
[M+NH4]+ 227.10262 148.2
[M+K]+ 248.03196 151.9
[M-H]- 208.06152 142.7
[M+Na-2H]- 230.04347 146.6
[M]+ 209.06825 143.2
[M]- 209.06935 143.2
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