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]+ 215.175396 152.5
[M+Na]+ 237.157338 156.1
[M-H]- 213.160844 153.0
[M+NH4]+ 232.201943 169.2
[M+K]+ 253.131278 154.8
[M+H-H2O]+ 197.165380 145.2
[M+HCOO]- 259.166321 170.8
[M+CH3COO]- 273.181971 189.8
[M+Na-2H]- 235.142786 154.0
[M]+ 214.16757142 149.5
[M]- 214.16866858 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.