CID 47975

Anirolac

Structural Information

Molecular Formula
C16H15NO4
SMILES
COC1=CC=C(C=C1)C(=O)C2=CC=C3N2CCC3C(=O)O
InChI
InChI=1S/C16H15NO4/c1-21-11-4-2-10(3-5-11)15(18)14-7-6-13-12(16(19)20)8-9-17(13)14/h2-7,12H,8-9H2,1H3,(H,19,20)
InChIKey
HEOZYYOUKGGSBJ-UHFFFAOYSA-N
Compound name
5-(4-methoxybenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

4237
Patents

285.1001 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.10738 164.5
[M+Na]+ 308.08932 172.0
[M-H]- 284.09282 170.2
[M+NH4]+ 303.13392 182.5
[M+K]+ 324.06326 169.0
[M+H-H2O]+ 268.09736 158.1
[M+HCOO]- 330.09830 184.4
[M+CH3COO]- 344.11395 198.0
[M+Na-2H]- 306.07477 163.6
[M]+ 285.09955 166.2
[M]- 285.10065 166.2
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.