CID 459334

Methyl 4-(ethoxycarbonylamino)-2-hydroxy-benzoate

Structural Information

Molecular Formula
C11H13NO5
SMILES
CCOC(=O)NC1=CC(=C(C=C1)C(=O)OC)O
InChI
InChI=1S/C11H13NO5/c1-3-17-11(15)12-7-4-5-8(9(13)6-7)10(14)16-2/h4-6,13H,3H2,1-2H3,(H,12,15)
InChIKey
VKBPFZHSJRTUEU-UHFFFAOYSA-N
Compound name
methyl 4-(ethoxycarbonylamino)-2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

239.07938 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.08666 150.3
[M+Na]+ 262.06860 157.2
[M-H]- 238.07210 153.0
[M+NH4]+ 257.11320 167.1
[M+K]+ 278.04254 156.6
[M+H-H2O]+ 222.07664 143.9
[M+HCOO]- 284.07758 173.2
[M+CH3COO]- 298.09323 190.6
[M+Na-2H]- 260.05405 153.5
[M]+ 239.07883 153.3
[M]- 239.07993 153.3
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