CID 7016387

112803-72-2

Structural Information

Molecular Formula
C11H23N3O3
SMILES
CC(C)(C)OC(=O)NCCCC[C@@H](C(=O)N)N
InChI
InChI=1S/C11H23N3O3/c1-11(2,3)17-10(16)14-7-5-4-6-8(12)9(13)15/h8H,4-7,12H2,1-3H3,(H2,13,15)(H,14,16)/t8-/m0/s1
InChIKey
MYJDOZLWSJZLJY-QMMMGPOBSA-N
Compound name
tert-butyl N-[(5S)-5,6-diamino-6-oxohexyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

89
Patents

245.17393 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.181206 160.7
[M+Na]+ 268.163148 163.6
[M-H]- 244.166654 159.4
[M+NH4]+ 263.207753 176.5
[M+K]+ 284.137088 163.7
[M+H-H2O]+ 228.171190 154.4
[M+HCOO]- 290.172131 181.2
[M+CH3COO]- 304.187781 201.3
[M+Na-2H]- 266.148596 160.7
[M]+ 245.17338142 159.4
[M]- 245.17447858 159.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe