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]+ 224.09174 147.6
[M+Na]+ 246.07368 153.9
[M-H]- 222.07718 151.4
[M+NH4]+ 241.11828 165.4
[M+K]+ 262.04762 154.0
[M+H-H2O]+ 206.08172 141.1
[M+HCOO]- 268.08266 170.8
[M+CH3COO]- 282.09831 191.2
[M+Na-2H]- 244.05913 150.7
[M]+ 223.08391 150.1
[M]- 223.08501 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.