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]+ 286.212506 169.7
[M+Na]+ 308.194448 171.7
[M-H]- 284.197954 171.7
[M+NH4]+ 303.239053 183.8
[M+K]+ 324.168388 172.8
[M+H-H2O]+ 268.202490 162.6
[M+HCOO]- 330.203431 185.5
[M+CH3COO]- 344.219081 208.9
[M+Na-2H]- 306.179896 168.2
[M]+ 285.20468142 167.1
[M]- 285.20577858 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.