CID 16205736

92956-71-3

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 177.5
[M+Na]+ 330.20397 181.7
[M-H]- 306.20747 177.7
[M+NH4]+ 325.24857 189.8
[M+K]+ 346.17791 176.2
[M+H-H2O]+ 290.21201 164.1
[M+HCOO]- 352.21295 184.8
[M+CH3COO]- 366.22860 206.0
[M+Na-2H]- 328.18942 174.4
[M]+ 307.21420 167.3
[M]- 307.21530 167.3
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.