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

19
Patents

183.1987 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.20598 147.5
[M+Na]+ 206.18792 151.4
[M-H]- 182.19142 148.2
[M+NH4]+ 201.23252 166.2
[M+K]+ 222.16186 149.5
[M+H-H2O]+ 166.19596 140.6
[M+HCOO]- 228.19690 165.3
[M+CH3COO]- 242.21255 185.4
[M+Na-2H]- 204.17337 150.3
[M]+ 183.19815 145.0
[M]- 183.19925 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