CID 56511

Alpha-(1-propynyl)cyclopropaneglycolic acid 3-quinuclidinyl ester

Structural Information

Molecular Formula
C15H21NO3
SMILES
CC#CC(C1CC1)(C(=O)OC2CN3CCC2CC3)O
InChI
InChI=1S/C15H21NO3/c1-2-7-15(18,12-3-4-12)14(17)19-13-10-16-8-5-11(13)6-9-16/h11-13,18H,3-6,8-10H2,1H3
InChIKey
WKVYOZYIPLKNSX-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-yl 2-cyclopropyl-2-hydroxypent-3-ynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.15213 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.15941 165.9
[M+Na]+ 286.14135 177.6
[M-H]- 262.14485 164.4
[M+NH4]+ 281.18595 180.1
[M+K]+ 302.11529 165.9
[M+H-H2O]+ 246.14939 157.8
[M+HCOO]- 308.15033 169.5
[M+CH3COO]- 322.16598 173.9
[M+Na-2H]- 284.12680 173.8
[M]+ 263.15158 165.2
[M]- 263.15268 165.2
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.