CID 198289

Pcmg

Structural Information

Molecular Formula
C16H25NO3
SMILES
CC#CC(C1CCCC1)(C(=O)OC2CCN(CC2)C)O
InChI
InChI=1S/C16H25NO3/c1-3-10-16(19,13-6-4-5-7-13)15(18)20-14-8-11-17(2)12-9-14/h13-14,19H,4-9,11-12H2,1-2H3
InChIKey
GKCPDYHGDHCIJL-UHFFFAOYSA-N
Compound name
(1-methylpiperidin-4-yl) 2-cyclopentyl-2-hydroxypent-3-ynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

279.18344 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.19072 169.5
[M+Na]+ 302.17266 174.4
[M-H]- 278.17616 170.0
[M+NH4]+ 297.21726 182.8
[M+K]+ 318.14660 169.4
[M+H-H2O]+ 262.18070 156.4
[M+HCOO]- 324.18164 177.4
[M+CH3COO]- 338.19729 201.2
[M+Na-2H]- 300.15811 167.3
[M]+ 279.18289 158.8
[M]- 279.18399 158.8
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

patents stripe