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

238
Patents

328.16342 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.17070 175.8
[M+Na]+ 351.15264 180.1
[M-H]- 327.15614 177.3
[M+NH4]+ 346.19724 189.9
[M+K]+ 367.12658 179.8
[M+H-H2O]+ 311.16068 169.2
[M+HCOO]- 373.16162 194.5
[M+CH3COO]- 387.17727 208.5
[M+Na-2H]- 349.13809 175.3
[M]+ 328.16287 180.1
[M]- 328.16397 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