CID 3069072

(r,s)-3-hydroxy-1-(3-hydroxy-4-methoxybenzoyl)-2-pyrrolidinone

Structural Information

Molecular Formula
C12H13NO5
SMILES
COC1=C(C=C(C=C1)C(=O)N2CCC(C2=O)O)O
InChI
InChI=1S/C12H13NO5/c1-18-10-3-2-7(6-9(10)15)11(16)13-5-4-8(14)12(13)17/h2-3,6,8,14-15H,4-5H2,1H3
InChIKey
VUOZPAGAAMBEGM-UHFFFAOYSA-N
Compound name
3-hydroxy-1-(3-hydroxy-4-methoxybenzoyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

251.07938 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.08666 155.0
[M+Na]+ 274.06860 164.9
[M+NH4]+ 269.11320 160.4
[M+K]+ 290.04254 163.4
[M-H]- 250.07210 154.9
[M+Na-2H]- 272.05405 158.0
[M]+ 251.07883 155.9
[M]- 251.07993 155.9
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