CID 100121

Boc-ile-osu

Structural Information

Molecular Formula
C15H24N2O6
SMILES
CCC(C)C(C(=O)ON1C(=O)CCC1=O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C15H24N2O6/c1-6-9(2)12(16-14(21)22-15(3,4)5)13(20)23-17-10(18)7-8-11(17)19/h9,12H,6-8H2,1-5H3,(H,16,21)
InChIKey
FATJLEZSGFVHQA-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

328.16342 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.170696 174.7
[M+Na]+ 351.152638 178.5
[M-H]- 327.156144 176.5
[M+NH4]+ 346.197243 188.7
[M+K]+ 367.126578 179.4
[M+H-H2O]+ 311.160680 168.7
[M+HCOO]- 373.161621 191.4
[M+CH3COO]- 387.177271 210.4
[M+Na-2H]- 349.138086 172.1
[M]+ 328.16287142 177.8
[M]- 328.16396858 177.8
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