CID 56956

95619-40-2

Structural Information

Molecular Formula
C20H31NO3
SMILES
CCCOC1=CC(=C(C(=C1)C)C(=O)OCC(C)(C)N2CCCC2)C
InChI
InChI=1S/C20H31NO3/c1-6-11-23-17-12-15(2)18(16(3)13-17)19(22)24-14-20(4,5)21-9-7-8-10-21/h12-13H,6-11,14H2,1-5H3
InChIKey
PWRQAWWFGTXNKD-UHFFFAOYSA-N
Compound name
(2-methyl-2-pyrrolidin-1-ylpropyl) 2,6-dimethyl-4-propoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.2304 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.237676 184.0
[M+Na]+ 356.219618 188.9
[M-H]- 332.223124 188.7
[M+NH4]+ 351.264223 198.6
[M+K]+ 372.193558 186.2
[M+H-H2O]+ 316.227660 176.4
[M+HCOO]- 378.228601 201.2
[M+CH3COO]- 392.244251 212.5
[M+Na-2H]- 354.205066 182.3
[M]+ 333.22985142 187.3
[M]- 333.23094858 187.3
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.