CID 13371163

Alpha-ethynylcyclopentaneglycolic acid

Structural Information

Molecular Formula
C16H23NO3
SMILES
C#CC(C1CCCC1)(C(=O)OC2CN3CCC2CC3)O
InChI
InChI=1S/C16H23NO3/c1-2-16(19,13-5-3-4-6-13)15(18)20-14-11-17-9-7-12(14)8-10-17/h1,12-14,19H,3-11H2
InChIKey
TXOOYGSLNWRANL-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-yl 2-cyclopentyl-2-hydroxybut-3-ynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.1678 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.17508 170.4
[M+Na]+ 300.15702 176.6
[M+NH4]+ 295.20162 175.1
[M+K]+ 316.13096 169.8
[M-H]- 276.16052 159.6
[M+Na-2H]- 298.14247 163.5
[M]+ 277.16725 167.1
[M]- 277.16835 167.1
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.