CID 3082630

P-hydroxyketorolac

Structural Information

Molecular Formula
C15H13NO4
SMILES
C1CN2C(=CC=C2C(=O)C3=CC=C(C=C3)O)C1C(=O)O
InChI
InChI=1S/C15H13NO4/c17-10-3-1-9(2-4-10)14(18)13-6-5-12-11(15(19)20)7-8-16(12)13/h1-6,11,17H,7-8H2,(H,19,20)
InChIKey
PIQMOWBWPFGZMW-UHFFFAOYSA-N
Compound name
5-(4-hydroxybenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

11
Patents

271.08447 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.09175 160.1
[M+Na]+ 294.07369 167.7
[M-H]- 270.07719 164.7
[M+NH4]+ 289.11829 178.1
[M+K]+ 310.04763 164.1
[M+H-H2O]+ 254.08173 154.2
[M+HCOO]- 316.08267 178.9
[M+CH3COO]- 330.09832 192.7
[M+Na-2H]- 292.05914 159.4
[M]+ 271.08392 159.7
[M]- 271.08502 159.7
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

No patent data available for this compound.