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]+ 310.23768 173.2
[M+Na]+ 332.21962 179.5
[M+NH4]+ 327.26422 180.3
[M+K]+ 348.19356 174.5
[M-H]- 308.22312 168.1
[M+Na-2H]- 330.20507 167.2
[M]+ 309.22985 172.3
[M]- 309.23095 172.3
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.