CID 28492988

Methyl 2-[1-(3-hydroxyphenyl)-n-methylformamido]acetate

Structural Information

Molecular Formula
C11H13NO4
SMILES
CN(CC(=O)OC)C(=O)C1=CC(=CC=C1)O
InChI
InChI=1S/C11H13NO4/c1-12(7-10(14)16-2)11(15)8-4-3-5-9(13)6-8/h3-6,13H,7H2,1-2H3
InChIKey
SIYGHEABEISEBF-UHFFFAOYSA-N
Compound name
methyl 2-[(3-hydroxybenzoyl)-methylamino]acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

223.08446 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.091736 147.6
[M+Na]+ 246.073678 153.9
[M-H]- 222.077184 151.4
[M+NH4]+ 241.118283 165.4
[M+K]+ 262.047618 154.0
[M+H-H2O]+ 206.081720 141.1
[M+HCOO]- 268.082661 170.8
[M+CH3COO]- 282.098311 191.2
[M+Na-2H]- 244.059126 150.7
[M]+ 223.08391142 150.1
[M]- 223.08500858 150.1
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

No patent data available for this compound.