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

4262
Patents

285.1001 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.107376 164.5
[M+Na]+ 308.089318 172.0
[M-H]- 284.092824 170.2
[M+NH4]+ 303.133923 182.5
[M+K]+ 324.063258 169.0
[M+H-H2O]+ 268.097360 158.1
[M+HCOO]- 330.098301 184.4
[M+CH3COO]- 344.113951 198.0
[M+Na-2H]- 306.074766 163.6
[M]+ 285.09955142 166.2
[M]- 285.10064858 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.