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
2
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]+ 264.159406 165.9
[M+Na]+ 286.141348 177.6
[M-H]- 262.144854 164.4
[M+NH4]+ 281.185953 180.1
[M+K]+ 302.115288 165.9
[M+H-H2O]+ 246.149390 157.8
[M+HCOO]- 308.150331 169.5
[M+CH3COO]- 322.165981 173.9
[M+Na-2H]- 284.126796 173.8
[M]+ 263.15158142 165.2
[M]- 263.15267858 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.