CID 3064921

4-piperidinol, 4-(3-buten-1-ynyl)-1-methyl-, propanoate (ester), hydrochloride

Structural Information

Molecular Formula
C13H19NO2
SMILES
CCC(=O)OC1(CCN(CC1)C)C#CC=C
InChI
InChI=1S/C13H19NO2/c1-4-6-7-13(16-12(15)5-2)8-10-14(3)11-9-13/h4H,1,5,8-11H2,2-3H3
InChIKey
ZNHSUXUWHLMIMN-UHFFFAOYSA-N
Compound name
(4-but-3-en-1-ynyl-1-methylpiperidin-4-yl) propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.14159 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.14887 149.5
[M+Na]+ 244.13081 157.7
[M-H]- 220.13431 149.9
[M+NH4]+ 239.17541 166.6
[M+K]+ 260.10475 153.4
[M+H-H2O]+ 204.13885 137.8
[M+HCOO]- 266.13979 162.1
[M+CH3COO]- 280.15544 194.8
[M+Na-2H]- 242.11626 151.7
[M]+ 221.14104 142.8
[M]- 221.14214 142.8
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

No patent data available for this compound.