CID 169683

Methylconiine

Structural Information

Molecular Formula
C9H19N
SMILES
CCC[C@H]1CCCCN1C
InChI
InChI=1S/C9H19N/c1-3-6-9-7-4-5-8-10(9)2/h9H,3-8H2,1-2H3/t9-/m0/s1
InChIKey
CUBHREGSQFAWDJ-VIFPVBQESA-N
Compound name
(2S)-1-methyl-2-propylpiperidine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

44
Patents

141.15175 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.15903 133.7
[M+Na]+ 164.14097 145.1
[M+NH4]+ 159.18557 143.0
[M+K]+ 180.11491 138.0
[M-H]- 140.14447 135.9
[M+Na-2H]- 162.12642 139.1
[M]+ 141.15120 135.8
[M]- 141.15230 135.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe