CID 66566265

1354025-93-6

Structural Information

Molecular Formula
C14H27N3O3
SMILES
C[C@@H](C(=O)N1CCCC(C1)N(C)C(=O)OC(C)(C)C)N
InChI
InChI=1S/C14H27N3O3/c1-10(15)12(18)17-8-6-7-11(9-17)16(5)13(19)20-14(2,3)4/h10-11H,6-9,15H2,1-5H3/t10-,11?/m0/s1
InChIKey
DHLNMATUWBDFFP-VUWPPUDQSA-N
Compound name
tert-butyl N-[1-[(2S)-2-aminopropanoyl]piperidin-3-yl]-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.20523 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.21251 169.7
[M+Na]+ 308.19445 171.7
[M-H]- 284.19795 171.7
[M+NH4]+ 303.23905 183.8
[M+K]+ 324.16839 172.8
[M+H-H2O]+ 268.20249 162.6
[M+HCOO]- 330.20343 185.5
[M+CH3COO]- 344.21908 208.9
[M+Na-2H]- 306.17990 168.2
[M]+ 285.20468 167.1
[M]- 285.20578 167.1
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.