CID 39870528

Methyl 1-(4-aminobutyl)piperidine-4-carboxylate dihydrochloride

Structural Information

Molecular Formula
C11H22N2O2
SMILES
COC(=O)C1CCN(CC1)CCCCN
InChI
InChI=1S/C11H22N2O2/c1-15-11(14)10-4-8-13(9-5-10)7-3-2-6-12/h10H,2-9,12H2,1H3
InChIKey
MGQGMNHVLWJVBU-UHFFFAOYSA-N
Compound name
methyl 1-(4-aminobutyl)piperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.16812 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.17540 152.5
[M+Na]+ 237.15734 156.1
[M-H]- 213.16084 153.0
[M+NH4]+ 232.20194 169.2
[M+K]+ 253.13128 154.8
[M+H-H2O]+ 197.16538 145.2
[M+HCOO]- 259.16632 170.8
[M+CH3COO]- 273.18197 189.8
[M+Na-2H]- 235.14279 154.0
[M]+ 214.16757 149.5
[M]- 214.16867 149.5
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

No patent data available for this compound.