CID 59085

101913-73-9

Structural Information

Molecular Formula
C17H29NO3
SMILES
CCCCCC(C(=C)C)(C(=O)OC1CN2CCC1CC2)O
InChI
InChI=1S/C17H29NO3/c1-4-5-6-9-17(20,13(2)3)16(19)21-15-12-18-10-7-14(15)8-11-18/h14-15,20H,2,4-12H2,1,3H3
InChIKey
PEBZLKBQSSWGNN-UHFFFAOYSA-N
Compound name
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

295.21475 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.22203 178.2
[M+Na]+ 318.20397 178.4
[M-H]- 294.20747 170.4
[M+NH4]+ 313.24857 195.5
[M+K]+ 334.17791 175.9
[M+H-H2O]+ 278.21201 173.1
[M+HCOO]- 340.21295 181.8
[M+CH3COO]- 354.22860 207.3
[M+Na-2H]- 316.18942 183.5
[M]+ 295.21420 179.8
[M]- 295.21530 179.8
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.