CID 47002219

2-(3-methoxy-4-nitrophenoxy)acetic acid

Structural Information

Molecular Formula
C9H9NO6
SMILES
COC1=C(C=CC(=C1)OCC(=O)O)[N+](=O)[O-]
InChI
InChI=1S/C9H9NO6/c1-15-8-4-6(16-5-9(11)12)2-3-7(8)10(13)14/h2-4H,5H2,1H3,(H,11,12)
InChIKey
YOVQHOGVUQNYHO-UHFFFAOYSA-N
Compound name
2-(3-methoxy-4-nitrophenoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

227.04298 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.050256 143.4
[M+Na]+ 250.032198 150.5
[M-H]- 226.035704 146.2
[M+NH4]+ 245.076803 159.9
[M+K]+ 266.006138 146.0
[M+H-H2O]+ 210.040240 141.9
[M+HCOO]- 272.041181 167.6
[M+CH3COO]- 286.056831 180.2
[M+Na-2H]- 248.017646 149.9
[M]+ 227.04243142 145.3
[M]- 227.04352858 145.3
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