CID 16205736

1-methyl-4-piperidyl cyclopentyl(4-methyl-1-butynyl)glycolate

Structural Information

Molecular Formula
C18H29NO3
SMILES
CCCC#CC(C1CCCC1)(C(=O)OC2CCN(CC2)C)O
InChI
InChI=1S/C18H29NO3/c1-3-4-7-12-18(21,15-8-5-6-9-15)17(20)22-16-10-13-19(2)14-11-16/h15-16,21H,3-6,8-11,13-14H2,1-2H3
InChIKey
CHCMIZHVANMTNZ-UHFFFAOYSA-N
Compound name
(1-methylpiperidin-4-yl) 2-cyclopentyl-2-hydroxyhept-3-ynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.21475 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.22203 175.8
[M+Na]+ 330.20397 182.3
[M+NH4]+ 325.24857 178.2
[M+K]+ 346.17791 176.1
[M-H]- 306.20747 167.8
[M+Na-2H]- 328.18942 174.4
[M]+ 307.21420 173.3
[M]- 307.21530 173.3
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.