CID 24837247

93101-35-0

Structural Information

Molecular Formula
C17H25NO3
SMILES
CC#CC(C1CCCC1)(C(=O)OC(C)C2=CCNCC2)O
InChI
InChI=1S/C17H25NO3/c1-3-10-17(20,15-6-4-5-7-15)16(19)21-13(2)14-8-11-18-12-9-14/h8,13,15,18,20H,4-7,9,11-12H2,1-2H3
InChIKey
YSPJTHUINWTOBL-UHFFFAOYSA-N
Compound name
1-(1,2,3,6-tetrahydropyridin-4-yl)ethyl 2-cyclopentyl-2-hydroxypent-3-ynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.18344 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.19072 175.5
[M+Na]+ 314.17266 179.3
[M-H]- 290.17616 174.5
[M+NH4]+ 309.21726 187.3
[M+K]+ 330.14660 173.7
[M+H-H2O]+ 274.18070 162.2
[M+HCOO]- 336.18164 182.0
[M+CH3COO]- 350.19729 201.0
[M+Na-2H]- 312.15811 172.5
[M]+ 291.18289 163.6
[M]- 291.18399 163.6
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.