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]+ 228.05026 143.4
[M+Na]+ 250.03220 150.5
[M-H]- 226.03570 146.2
[M+NH4]+ 245.07680 159.9
[M+K]+ 266.00614 146.0
[M+H-H2O]+ 210.04024 141.9
[M+HCOO]- 272.04118 167.6
[M+CH3COO]- 286.05683 180.2
[M+Na-2H]- 248.01765 149.9
[M]+ 227.04243 145.3
[M]- 227.04353 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