CID 66875477

Tert-butyl 2-(1-aminoethyl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C12H24N2O2
SMILES
CC(C1CCCCN1C(=O)OC(C)(C)C)N
InChI
InChI=1S/C12H24N2O2/c1-9(13)10-7-5-6-8-14(10)11(15)16-12(2,3)4/h9-10H,5-8,13H2,1-4H3
InChIKey
UHURVYQOXPFTNJ-UHFFFAOYSA-N
Compound name
tert-butyl 2-(1-aminoethyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

228.18378 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.191056 156.9
[M+Na]+ 251.172998 160.5
[M-H]- 227.176504 157.7
[M+NH4]+ 246.217603 173.3
[M+K]+ 267.146938 160.0
[M+H-H2O]+ 211.181040 150.5
[M+HCOO]- 273.181981 172.4
[M+CH3COO]- 287.197631 192.8
[M+Na-2H]- 249.158446 157.6
[M]+ 228.18323142 153.0
[M]- 228.18432858 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