CID 16206235

3-pentynoic acid, 2-(1-cyclopentenyl)-2-hydroxy-, 1-methyl-4-piperidyl ester

Structural Information

Molecular Formula
C16H23NO3
SMILES
CC#CC(C1=CCCC1)(C(=O)OC2CCN(CC2)C)O
InChI
InChI=1S/C16H23NO3/c1-3-10-16(19,13-6-4-5-7-13)15(18)20-14-8-11-17(2)12-9-14/h6,14,19H,4-5,7-9,11-12H2,1-2H3
InChIKey
KJABXOQIRIMCRE-UHFFFAOYSA-N
Compound name
(1-methylpiperidin-4-yl) 2-(cyclopenten-1-yl)-2-hydroxypent-3-ynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.1678 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.17508 166.6
[M+Na]+ 300.15702 174.3
[M+NH4]+ 295.20162 169.3
[M+K]+ 316.13096 168.3
[M-H]- 276.16052 158.8
[M+Na-2H]- 298.14247 166.4
[M]+ 277.16725 164.3
[M]- 277.16835 164.3
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.