CID 380281

101931-78-6

Structural Information

Molecular Formula
C15H23NO3
SMILES
CC#CC(C(C)C)(C(=O)OC1CN2CCC1CC2)O
InChI
InChI=1S/C15H23NO3/c1-4-7-15(18,11(2)3)14(17)19-13-10-16-8-5-12(13)6-9-16/h11-13,18H,5-6,8-10H2,1-3H3
InChIKey
PIQGPSJRLJWWML-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2-propan-2-ylpent-3-ynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.1678 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.17508 167.6
[M+Na]+ 288.15702 174.5
[M+NH4]+ 283.20162 171.8
[M+K]+ 304.13096 166.6
[M-H]- 264.16052 155.5
[M+Na-2H]- 286.14247 160.4
[M]+ 265.16725 164.1
[M]- 265.16835 164.1
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.