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 183.2
[M+Na]+ 332.21962 183.9
[M-H]- 308.22312 175.6
[M+NH4]+ 327.26422 200.3
[M+K]+ 348.19356 181.3
[M+H-H2O]+ 292.22766 178.3
[M+HCOO]- 354.22860 186.4
[M+CH3COO]- 368.24425 211.4
[M+Na-2H]- 330.20507 187.4
[M]+ 309.22985 185.6
[M]- 309.23095 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.