CID 5091658

87981-04-2

Structural Information

Molecular Formula
C19H26N2O6
SMILES
C1CC(=O)N(C1=O)OC(=O)CCCCCCCCCCN2C(=O)C=CC2=O
InChI
InChI=1S/C19H26N2O6/c22-15-10-11-16(23)20(15)14-8-6-4-2-1-3-5-7-9-19(26)27-21-17(24)12-13-18(21)25/h10-11H,1-9,12-14H2
InChIKey
SGNVTRHWJGTNKV-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) 11-(2,5-dioxopyrrol-1-yl)undecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

656
Patents

378.17908 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.18636 188.6
[M+Na]+ 401.16830 193.5
[M-H]- 377.17180 191.8
[M+NH4]+ 396.21290 201.0
[M+K]+ 417.14224 190.5
[M+H-H2O]+ 361.17634 180.5
[M+HCOO]- 423.17728 206.9
[M+CH3COO]- 437.19293 216.7
[M+Na-2H]- 399.15375 183.1
[M]+ 378.17853 193.6
[M]- 378.17963 193.6
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