CID 2404856

2-[(4-methoxy-3-nitrophenyl)formamido]acetic acid

Structural Information

Molecular Formula
C10H10N2O6
SMILES
COC1=C(C=C(C=C1)C(=O)NCC(=O)O)[N+](=O)[O-]
InChI
InChI=1S/C10H10N2O6/c1-18-8-3-2-6(4-7(8)12(16)17)10(15)11-5-9(13)14/h2-4H,5H2,1H3,(H,11,15)(H,13,14)
InChIKey
CEYJLPHGQAHEDS-UHFFFAOYSA-N
Compound name
2-[(4-methoxy-3-nitrobenzoyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.05388 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.06116 149.8
[M+Na]+ 277.04310 155.5
[M-H]- 253.04660 152.4
[M+NH4]+ 272.08770 164.6
[M+K]+ 293.01704 150.7
[M+H-H2O]+ 237.05114 147.8
[M+HCOO]- 299.05208 173.8
[M+CH3COO]- 313.06773 187.4
[M+Na-2H]- 275.02855 155.0
[M]+ 254.05333 149.8
[M]- 254.05443 149.8
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

No patent data available for this compound.