CID 3044671

4-piperidinecarboxylic acid, 4-amino-, pentyl ester, ethanedioate (1:2)

Structural Information

Molecular Formula
C11H22N2O2
SMILES
CCCCCOC(=O)C1(CCNCC1)N
InChI
InChI=1S/C11H22N2O2/c1-2-3-4-9-15-10(14)11(12)5-7-13-8-6-11/h13H,2-9,12H2,1H3
InChIKey
TYXBSZYVESTCNX-UHFFFAOYSA-N
Compound name
pentyl 4-aminopiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.16812 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.17540 152.7
[M+Na]+ 237.15734 155.8
[M-H]- 213.16084 151.6
[M+NH4]+ 232.20194 170.3
[M+K]+ 253.13128 153.9
[M+H-H2O]+ 197.16538 146.4
[M+HCOO]- 259.16632 169.4
[M+CH3COO]- 273.18197 185.7
[M+Na-2H]- 235.14279 155.6
[M]+ 214.16757 147.7
[M]- 214.16867 147.7
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