CID 5468176

Nsc665758

Structural Information

Molecular Formula
C19H31NO3
SMILES
CC(C)/C=C\C(C1CCCC1)(C(=O)OC2CN3CCC2CC3)O
InChI
InChI=1S/C19H31NO3/c1-14(2)7-10-19(22,16-5-3-4-6-16)18(21)23-17-13-20-11-8-15(17)9-12-20/h7,10,14-17,22H,3-6,8-9,11-13H2,1-2H3/b10-7-
InChIKey
PZSSHNWVJGSMGY-YFHOEESVSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-yl (Z)-2-cyclopentyl-2-hydroxy-5-methylhex-3-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.2304 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.23768 181.2
[M+Na]+ 344.21962 179.7
[M-H]- 320.22312 176.1
[M+NH4]+ 339.26422 198.8
[M+K]+ 360.19356 176.6
[M+H-H2O]+ 304.22766 175.8
[M+HCOO]- 366.22860 183.6
[M+CH3COO]- 380.24425 209.0
[M+Na-2H]- 342.20507 183.4
[M]+ 321.22985 178.8
[M]- 321.23095 178.8
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.