CID 3047843

Pidobenzone

Structural Information

Molecular Formula
C11H11NO4
SMILES
C1CC(=O)N[C@@H]1C(=O)OC2=CC=C(C=C2)O
InChI
InChI=1S/C11H11NO4/c13-7-1-3-8(4-2-7)16-11(15)9-5-6-10(14)12-9/h1-4,9,13H,5-6H2,(H,12,14)/t9-/m0/s1
InChIKey
SDJPNDMWNUPUFI-VIFPVBQESA-N
Compound name
(4-hydroxyphenyl) (2S)-5-oxopyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

95
Patents

221.0688 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.07608 146.4
[M+Na]+ 244.05802 153.1
[M-H]- 220.06152 149.2
[M+NH4]+ 239.10262 163.5
[M+K]+ 260.03196 150.2
[M+H-H2O]+ 204.06606 139.7
[M+HCOO]- 266.06700 165.6
[M+CH3COO]- 280.08265 180.3
[M+Na-2H]- 242.04347 148.2
[M]+ 221.06825 143.5
[M]- 221.06935 143.5
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