CID 139022392

4-(but-3-yn-1-yl)-1-methylpiperidine

Structural Information

Molecular Formula
C10H17N
SMILES
CN1CCC(CC1)CCC#C
InChI
InChI=1S/C10H17N/c1-3-4-5-10-6-8-11(2)9-7-10/h1,10H,4-9H2,2H3
InChIKey
JLPGNORAOBQBCC-UHFFFAOYSA-N
Compound name
4-but-3-ynyl-1-methylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

151.1361 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.14338 136.5
[M+Na]+ 174.12532 147.6
[M+NH4]+ 169.16992 141.8
[M+K]+ 190.09926 137.7
[M-H]- 150.12882 130.4
[M+Na-2H]- 172.11077 138.8
[M]+ 151.13555 135.5
[M]- 151.13665 135.5
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.