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 169.1
[M+Na]+ 300.15702 174.9
[M-H]- 276.16052 169.9
[M+NH4]+ 295.20162 182.5
[M+K]+ 316.13096 169.8
[M+H-H2O]+ 260.16506 156.0
[M+HCOO]- 322.16600 178.3
[M+CH3COO]- 336.18165 200.8
[M+Na-2H]- 298.14247 167.6
[M]+ 277.16725 159.6
[M]- 277.16835 159.6
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.