CID 88990711

80750-24-9

Structural Information

Molecular Formula
C14H21N3O5
SMILES
C[C@H]1[C@H](NC(=O)N1)CCCCCC(=O)ON2C(=O)CCC2=O
InChI
InChI=1S/C14H21N3O5/c1-9-10(16-14(21)15-9)5-3-2-4-6-13(20)22-17-11(18)7-8-12(17)19/h9-10H,2-8H2,1H3,(H2,15,16,21)/t9-,10+/m0/s1
InChIKey
YDSINCVWMDUPSG-VHSXEESVSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) 6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

311.14813 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.15541 173.1
[M+Na]+ 334.13735 178.2
[M-H]- 310.14085 172.8
[M+NH4]+ 329.18195 185.6
[M+K]+ 350.11129 174.9
[M+H-H2O]+ 294.14539 165.4
[M+HCOO]- 356.14633 186.9
[M+CH3COO]- 370.16198 199.3
[M+Na-2H]- 332.12280 167.7
[M]+ 311.14758 171.0
[M]- 311.14868 171.0
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