CID 95886

Dimethyl 4-aminophthalate

Structural Information

Molecular Formula
C10H11NO4
SMILES
COC(=O)C1=C(C=C(C=C1)N)C(=O)OC
InChI
InChI=1S/C10H11NO4/c1-14-9(12)7-4-3-6(11)5-8(7)10(13)15-2/h3-5H,11H2,1-2H3
InChIKey
NTBHQNDXAJXRPU-UHFFFAOYSA-N
Compound name
dimethyl 4-aminobenzene-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

220
Patents

209.0688 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.076076 142.8
[M+Na]+ 232.058018 150.7
[M-H]- 208.061524 146.6
[M+NH4]+ 227.102623 161.3
[M+K]+ 248.031958 150.2
[M+H-H2O]+ 192.066060 136.7
[M+HCOO]- 254.067001 166.8
[M+CH3COO]- 268.082651 187.8
[M+Na-2H]- 230.043466 145.9
[M]+ 209.06825142 145.0
[M]- 209.06934858 145.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe