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 170.7
[M+Na]+ 288.15702 176.0
[M-H]- 264.16052 164.0
[M+NH4]+ 283.20162 187.6
[M+K]+ 304.13096 169.0
[M+H-H2O]+ 248.16506 161.0
[M+HCOO]- 310.16600 171.6
[M+CH3COO]- 324.18165 206.1
[M+Na-2H]- 286.14247 175.9
[M]+ 265.16725 166.6
[M]- 265.16835 166.6
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.