CID 45075298

3-[(prop-2-yn-1-yloxy)methyl]piperidine

Structural Information

Molecular Formula
C9H15NO
SMILES
C#CCOCC1CCCNC1
InChI
InChI=1S/C9H15NO/c1-2-6-11-8-9-4-3-5-10-7-9/h1,9-10H,3-8H2
InChIKey
FGHJMROJNXGNDF-UHFFFAOYSA-N
Compound name
3-(prop-2-ynoxymethyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.11537 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.12265 137.3
[M+Na]+ 176.10459 147.3
[M+NH4]+ 171.14919 141.8
[M+K]+ 192.07853 138.0
[M-H]- 152.10809 130.1
[M+Na-2H]- 174.09004 138.9
[M]+ 153.11482 135.6
[M]- 153.11592 135.6
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.