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]+ 255.061156 149.8
[M+Na]+ 277.043098 155.5
[M-H]- 253.046604 152.4
[M+NH4]+ 272.087703 164.6
[M+K]+ 293.017038 150.7
[M+H-H2O]+ 237.051140 147.8
[M+HCOO]- 299.052081 173.8
[M+CH3COO]- 313.067731 187.4
[M+Na-2H]- 275.028546 155.0
[M]+ 254.05333142 149.8
[M]- 254.05442858 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.