CID 3064919

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

Structural Information

Molecular Formula
C12H17NO2
SMILES
CC(=O)OC1(CCN(CC1)C)C#CC=C
InChI
InChI=1S/C12H17NO2/c1-4-5-6-12(15-11(2)14)7-9-13(3)10-8-12/h4H,1,7-10H2,2-3H3
InChIKey
NIOLZQSSDJDTPQ-UHFFFAOYSA-N
Compound name
(4-but-3-en-1-ynyl-1-methylpiperidin-4-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.12593 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.13321 147.8
[M+Na]+ 230.11515 157.7
[M+NH4]+ 225.15975 152.4
[M+K]+ 246.08909 147.4
[M-H]- 206.11865 140.0
[M+Na-2H]- 228.10060 149.7
[M]+ 207.12538 146.0
[M]- 207.12648 146.0
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.