CID 131039745

1-(but-3-yn-1-yl)-3,3,4-trimethylpiperidine

Structural Information

Molecular Formula
C12H21N
SMILES
CC1CCN(CC1(C)C)CCC#C
InChI
InChI=1S/C12H21N/c1-5-6-8-13-9-7-11(2)12(3,4)10-13/h1,11H,6-10H2,2-4H3
InChIKey
MKOBLXNJDQLBJN-UHFFFAOYSA-N
Compound name
1-but-3-ynyl-3,3,4-trimethylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.1674 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.174676 138.0
[M+Na]+ 202.156618 146.9
[M-H]- 178.160124 138.8
[M+NH4]+ 197.201223 157.0
[M+K]+ 218.130558 142.8
[M+H-H2O]+ 162.164660 126.8
[M+HCOO]- 224.165601 151.1
[M+CH3COO]- 238.181251 192.2
[M+Na-2H]- 200.142066 141.4
[M]+ 179.16685142 130.8
[M]- 179.16794858 130.8
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.