CID 5074016

51513-80-5

Structural Information

Molecular Formula
C15H24N2O6
SMILES
CC(C)(C)OC(=O)NCCCCCC(=O)ON1C(=O)CCC1=O
InChI
InChI=1S/C15H24N2O6/c1-15(2,3)22-14(21)16-10-6-4-5-7-13(20)23-17-11(18)8-9-12(17)19/h4-10H2,1-3H3,(H,16,21)
InChIKey
TYJPSIQEEXOQLC-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) 6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

233
Patents

328.16342 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.170696 175.8
[M+Na]+ 351.152638 180.1
[M-H]- 327.156144 177.3
[M+NH4]+ 346.197243 189.9
[M+K]+ 367.126578 179.8
[M+H-H2O]+ 311.160680 169.2
[M+HCOO]- 373.161621 194.5
[M+CH3COO]- 387.177271 208.5
[M+Na-2H]- 349.138086 175.3
[M]+ 328.16287142 180.1
[M]- 328.16396858 180.1
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

patents stripe