CID 12535336

22102-66-5

Structural Information

Molecular Formula
C14H23NO4
SMILES
CCCCCCCCCC(=O)ON1C(=O)CCC1=O
InChI
InChI=1S/C14H23NO4/c1-2-3-4-5-6-7-8-9-14(18)19-15-12(16)10-11-13(15)17/h2-11H2,1H3
InChIKey
ZHCGDUYHEXICCS-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) decanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

269.16272 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.17000 164.3
[M+Na]+ 292.15194 169.7
[M-H]- 268.15544 165.5
[M+NH4]+ 287.19654 181.2
[M+K]+ 308.12588 167.8
[M+H-H2O]+ 252.15998 157.4
[M+HCOO]- 314.16092 184.2
[M+CH3COO]- 328.17657 197.8
[M+Na-2H]- 290.13739 163.2
[M]+ 269.16217 168.1
[M]- 269.16327 168.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe