CID 174127

3-hydroxyaniracetam

Structural Information

Molecular Formula
C12H13NO4
SMILES
COC1=CC=C(C=C1)C(=O)N2CC[C@H](C2=O)O
InChI
InChI=1S/C12H13NO4/c1-17-9-4-2-8(3-5-9)11(15)13-7-6-10(14)12(13)16/h2-5,10,14H,6-7H2,1H3/t10-/m1/s1
InChIKey
ZUSPUYXHFZBBBB-SNVBAGLBSA-N
Compound name
(3R)-3-hydroxy-1-(4-methoxybenzoyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

56
Patents

235.08446 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.09174 151.8
[M+Na]+ 258.07368 162.4
[M+NH4]+ 253.11828 158.2
[M+K]+ 274.04762 159.8
[M-H]- 234.07718 152.7
[M+Na-2H]- 256.05913 156.2
[M]+ 235.08391 153.2
[M]- 235.08501 153.2
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