CID 44129627

3-({[(1z)-(2-methoxyphenyl)methylidene]amino}oxy)propanoic acid

Structural Information

Molecular Formula
C11H13NO4
SMILES
COC1=CC=CC=C1/C=N\OCCC(=O)O
InChI
InChI=1S/C11H13NO4/c1-15-10-5-3-2-4-9(10)8-12-16-7-6-11(13)14/h2-5,8H,6-7H2,1H3,(H,13,14)/b12-8-
InChIKey
HNYXMVDBRIIJGT-WQLSENKSSA-N
Compound name
3-[(Z)-(2-methoxyphenyl)methylideneamino]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

223.08446 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.091736 146.9
[M+Na]+ 246.073678 153.6
[M-H]- 222.077184 150.4
[M+NH4]+ 241.118283 164.7
[M+K]+ 262.047618 152.6
[M+H-H2O]+ 206.081720 140.0
[M+HCOO]- 268.082661 172.1
[M+CH3COO]- 282.098311 190.0
[M+Na-2H]- 244.059126 152.4
[M]+ 223.08391142 150.8
[M]- 223.08500858 150.8
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