CID 21875535

2-(2-methoxy-4-nitrophenyl)acetic acid

Structural Information

Molecular Formula
C9H9NO5
SMILES
COC1=C(C=CC(=C1)[N+](=O)[O-])CC(=O)O
InChI
InChI=1S/C9H9NO5/c1-15-8-5-7(10(13)14)3-2-6(8)4-9(11)12/h2-3,5H,4H2,1H3,(H,11,12)
InChIKey
MRSRVRQXSZHULI-UHFFFAOYSA-N
Compound name
2-(2-methoxy-4-nitrophenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

211.04807 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.05535 140.7
[M+Na]+ 234.03729 148.0
[M-H]- 210.04079 143.5
[M+NH4]+ 229.08189 158.0
[M+K]+ 250.01123 143.0
[M+H-H2O]+ 194.04533 139.5
[M+HCOO]- 256.04627 164.8
[M+CH3COO]- 270.06192 178.0
[M+Na-2H]- 232.02274 147.0
[M]+ 211.04752 141.3
[M]- 211.04862 141.3
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