CID 145869411

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

Structural Information

Molecular Formula
C10H17N
SMILES
CN1CCCCC1CCC#C
InChI
InChI=1S/C10H17N/c1-3-4-7-10-8-5-6-9-11(10)2/h1,10H,4-9H2,2H3
InChIKey
REEAABQKIHOOJP-UHFFFAOYSA-N
Compound name
2-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 131.3
[M+Na]+ 174.12532 139.0
[M-H]- 150.12882 131.4
[M+NH4]+ 169.16992 149.0
[M+K]+ 190.09926 135.6
[M+H-H2O]+ 134.13336 119.2
[M+HCOO]- 196.13430 144.8
[M+CH3COO]- 210.14995 186.2
[M+Na-2H]- 172.11077 135.1
[M]+ 151.13555 122.7
[M]- 151.13665 122.7
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.