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]+ 334.23768 184.0
[M+Na]+ 356.21962 188.9
[M-H]- 332.22312 188.7
[M+NH4]+ 351.26422 198.6
[M+K]+ 372.19356 186.2
[M+H-H2O]+ 316.22766 176.4
[M+HCOO]- 378.22860 201.2
[M+CH3COO]- 392.24425 212.5
[M+Na-2H]- 354.20507 182.3
[M]+ 333.22985 187.3
[M]- 333.23095 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.