CID 21149783

94107-37-6

Structural Information

Molecular Formula
C13H15NO5
SMILES
CC(=N[C@H](C1=CC=C(C=C1)O)C(=O)O)CC(=O)OC
InChI
InChI=1S/C13H15NO5/c1-8(7-11(16)19-2)14-12(13(17)18)9-3-5-10(15)6-4-9/h3-6,12,15H,7H2,1-2H3,(H,17,18)/t12-/m1/s1
InChIKey
WBDYOVQGUOOQFT-GFCCVEGCSA-N
Compound name
(2R)-2-(4-hydroxyphenyl)-2-[(4-methoxy-4-oxobutan-2-ylidene)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

265.09503 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.102306 158.6
[M+Na]+ 288.084248 163.5
[M-H]- 264.087754 160.6
[M+NH4]+ 283.128853 173.7
[M+K]+ 304.058188 162.8
[M+H-H2O]+ 248.092290 151.9
[M+HCOO]- 310.093231 179.0
[M+CH3COO]- 324.108881 197.1
[M+Na-2H]- 286.069696 159.0
[M]+ 265.09448142 160.1
[M]- 265.09557858 160.1
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