CID 59084

2-methyl-3-quinuclidyl-n-amyl(isopropenyl)glycolate b

Structural Information

Molecular Formula
C18H31NO3
SMILES
CCCCCC(C(=C)C)(C(=O)OC1C(N2CCC1CC2)C)O
InChI
InChI=1S/C18H31NO3/c1-5-6-7-10-18(21,13(2)3)17(20)22-16-14(4)19-11-8-15(16)9-12-19/h14-16,21H,2,5-12H2,1,3-4H3
InChIKey
LYGSRXNHWWWSOH-UHFFFAOYSA-N
Compound name
(2-methyl-1-azabicyclo[2.2.2]octan-3-yl) 2-hydroxy-2-prop-1-en-2-ylheptanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.2304 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.237676 183.2
[M+Na]+ 332.219618 183.9
[M-H]- 308.223124 175.6
[M+NH4]+ 327.264223 200.3
[M+K]+ 348.193558 181.3
[M+H-H2O]+ 292.227660 178.3
[M+HCOO]- 354.228601 186.4
[M+CH3COO]- 368.244251 211.4
[M+Na-2H]- 330.205066 187.4
[M]+ 309.22985142 185.6
[M]- 309.23094858 185.6
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

No patent data available for this compound.