CID 4525600

1-hexyl-4-methylpiperidine

Structural Information

Molecular Formula
C12H25N
SMILES
CCCCCCN1CCC(CC1)C
InChI
InChI=1S/C12H25N/c1-3-4-5-6-9-13-10-7-12(2)8-11-13/h12H,3-11H2,1-2H3
InChIKey
JFTNESUGLJGDJP-UHFFFAOYSA-N
Compound name
1-hexyl-4-methylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

183.1987 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.205976 147.5
[M+Na]+ 206.187918 151.4
[M-H]- 182.191424 148.2
[M+NH4]+ 201.232523 166.2
[M+K]+ 222.161858 149.5
[M+H-H2O]+ 166.195960 140.6
[M+HCOO]- 228.196901 165.3
[M+CH3COO]- 242.212551 185.4
[M+Na-2H]- 204.173366 150.3
[M]+ 183.19815142 145.0
[M]- 183.19924858 145.0
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

patents stripe