CID 4104802

1-butyl-4-methylpiperidine

Structural Information

Molecular Formula
C10H21N
SMILES
CCCCN1CCC(CC1)C
InChI
InChI=1S/C10H21N/c1-3-4-7-11-8-5-10(2)6-9-11/h10H,3-9H2,1-2H3
InChIKey
AXMCYIWXDKWDCL-UHFFFAOYSA-N
Compound name
1-butyl-4-methylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

111
Patents

155.1674 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.17468 138.3
[M+Na]+ 178.15662 143.1
[M-H]- 154.16012 139.5
[M+NH4]+ 173.20122 158.2
[M+K]+ 194.13056 141.8
[M+H-H2O]+ 138.16466 131.9
[M+HCOO]- 200.16560 156.9
[M+CH3COO]- 214.18125 179.3
[M+Na-2H]- 176.14207 142.3
[M]+ 155.16685 135.2
[M]- 155.16795 135.2
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