CID 13371162

92956-76-8

Structural Information

Molecular Formula
C15H23NO3
SMILES
CN1CCC(CC1)OC(=O)C(C#C)(C2CCCC2)O
InChI
InChI=1S/C15H23NO3/c1-3-15(18,12-6-4-5-7-12)14(17)19-13-8-10-16(2)11-9-13/h1,12-13,18H,4-11H2,2H3
InChIKey
VCWICUKEPYKJAH-UHFFFAOYSA-N
Compound name
(1-methylpiperidin-4-yl) 2-cyclopentyl-2-hydroxybut-3-ynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.1678 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.17508 165.3
[M+Na]+ 288.15702 170.5
[M-H]- 264.16052 165.9
[M+NH4]+ 283.20162 179.0
[M+K]+ 304.13096 165.7
[M+H-H2O]+ 248.16506 152.4
[M+HCOO]- 310.16600 173.5
[M+CH3COO]- 324.18165 199.1
[M+Na-2H]- 286.14247 163.5
[M]+ 265.16725 154.3
[M]- 265.16835 154.3
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.