CID 183806

70585-60-3

Structural Information

Molecular Formula
C14H19NO4
SMILES
C1CCN(C1)CCCC(=O)C2=C(C=C(C=C2O)O)O
InChI
InChI=1S/C14H19NO4/c16-10-8-12(18)14(13(19)9-10)11(17)4-3-7-15-5-1-2-6-15/h8-9,16,18-19H,1-7H2
InChIKey
BAWROKQOTBLQSB-UHFFFAOYSA-N
Compound name
4-pyrrolidin-1-yl-1-(2,4,6-trihydroxyphenyl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

4
Patents

265.1314 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.13868 161.0
[M+Na]+ 288.12062 166.5
[M-H]- 264.12412 162.2
[M+NH4]+ 283.16522 175.9
[M+K]+ 304.09456 162.7
[M+H-H2O]+ 248.12866 154.2
[M+HCOO]- 310.12960 177.4
[M+CH3COO]- 324.14525 189.7
[M+Na-2H]- 286.10607 160.1
[M]+ 265.13085 158.6
[M]- 265.13195 158.6
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

patents stripe