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

109
Patents

155.1674 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.174676 138.3
[M+Na]+ 178.156618 143.1
[M-H]- 154.160124 139.5
[M+NH4]+ 173.201223 158.2
[M+K]+ 194.130558 141.8
[M+H-H2O]+ 138.164660 131.9
[M+HCOO]- 200.165601 156.9
[M+CH3COO]- 214.181251 179.3
[M+Na-2H]- 176.142066 142.3
[M]+ 155.16685142 135.2
[M]- 155.16794858 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