CID 24837246

93101-77-0

Structural Information

Molecular Formula
C18H27NO3
SMILES
CC(=C)C1(CCCC1)C(C(=O)OCC2=CN3CCC2CC3)O
InChI
InChI=1S/C18H27NO3/c1-13(2)18(7-3-4-8-18)16(20)17(21)22-12-15-11-19-9-5-14(15)6-10-19/h11,14,16,20H,1,3-10,12H2,2H3
InChIKey
LONKCHBENQUWPE-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]oct-2-en-3-ylmethyl 2-hydroxy-2-(1-prop-1-en-2-ylcyclopentyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.1991 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.20638 175.7
[M+Na]+ 328.18832 176.1
[M-H]- 304.19182 171.3
[M+NH4]+ 323.23292 195.9
[M+K]+ 344.16226 172.9
[M+H-H2O]+ 288.19636 169.8
[M+HCOO]- 350.19730 180.4
[M+CH3COO]- 364.21295 206.4
[M+Na-2H]- 326.17377 178.1
[M]+ 305.19855 174.6
[M]- 305.19965 174.6
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.