CID 47002429

Tert-butyl 3-(1-aminoethyl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C12H24N2O2
SMILES
CC(C1CCCN(C1)C(=O)OC(C)(C)C)N
InChI
InChI=1S/C12H24N2O2/c1-9(13)10-6-5-7-14(8-10)11(15)16-12(2,3)4/h9-10H,5-8,13H2,1-4H3
InChIKey
SQEURGTUFUERHD-UHFFFAOYSA-N
Compound name
tert-butyl 3-(1-aminoethyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

228.18378 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.19106 156.9
[M+Na]+ 251.17300 160.5
[M-H]- 227.17650 157.7
[M+NH4]+ 246.21760 173.3
[M+K]+ 267.14694 160.0
[M+H-H2O]+ 211.18104 150.5
[M+HCOO]- 273.18198 172.4
[M+CH3COO]- 287.19763 192.8
[M+Na-2H]- 249.15845 157.6
[M]+ 228.18323 153.0
[M]- 228.18433 153.0
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