CID 792006

63886-38-4

Structural Information

Molecular Formula
C14H19NO4
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)N2CCCC2
InChI
InChI=1S/C14H19NO4/c1-17-11-8-10(9-12(18-2)13(11)19-3)14(16)15-6-4-5-7-15/h8-9H,4-7H2,1-3H3
InChIKey
GSYJYMHUFBKDCU-UHFFFAOYSA-N
Compound name
pyrrolidin-1-yl-(3,4,5-trimethoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

265.1314 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.138676 159.6
[M+Na]+ 288.120618 166.5
[M-H]- 264.124124 165.0
[M+NH4]+ 283.165223 176.7
[M+K]+ 304.094558 165.3
[M+H-H2O]+ 248.128660 152.1
[M+HCOO]- 310.129601 180.6
[M+CH3COO]- 324.145251 196.3
[M+Na-2H]- 286.106066 160.1
[M]+ 265.13085142 162.6
[M]- 265.13194858 162.6
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