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

38
Patents

311.14813 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.155406 173.1
[M+Na]+ 334.137348 178.2
[M-H]- 310.140854 172.8
[M+NH4]+ 329.181953 185.6
[M+K]+ 350.111288 174.9
[M+H-H2O]+ 294.145390 165.4
[M+HCOO]- 356.146331 186.9
[M+CH3COO]- 370.161981 199.3
[M+Na-2H]- 332.122796 167.7
[M]+ 311.14758142 171.0
[M]- 311.14867858 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