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
2
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

literature stripe

Patent stripe

patents stripe