CID 58158

101030-74-4

Structural Information

Molecular Formula
C15H23NO3
SMILES
CC#CC(C1CCC1)(C(=O)OC2CCN(CC2)C)O
InChI
InChI=1S/C15H23NO3/c1-3-9-15(18,12-5-4-6-12)14(17)19-13-7-10-16(2)11-8-13/h12-13,18H,4-8,10-11H2,1-2H3
InChIKey
PZDXBHWCDGXMDK-UHFFFAOYSA-N
Compound name
(1-methylpiperidin-4-yl) 2-cyclobutyl-2-hydroxypent-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 157.9
[M+Na]+ 288.15702 161.6
[M-H]- 264.16052 158.7
[M+NH4]+ 283.20162 164.6
[M+K]+ 304.13096 162.2
[M+H-H2O]+ 248.16506 140.8
[M+HCOO]- 310.16600 165.6
[M+CH3COO]- 324.18165 202.9
[M+Na-2H]- 286.14247 158.0
[M]+ 265.16725 156.5
[M]- 265.16835 156.5
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.