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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	266.13868	159.6
[M+Na]+	288.12062	166.5
[M-H]-	264.12412	165.0
[M+NH4]+	283.16522	176.7
[M+K]+	304.09456	165.3
[M+H-H2O]+	248.12866	152.1
[M+HCOO]-	310.12960	180.6
[M+CH3COO]-	324.14525	196.3
[M+Na-2H]-	286.10607	160.1
[M]+	265.13085	162.6
[M]-	265.13195	162.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe