CID 4227814

N,n,n',n'-bis(tetramethylene)-o-(n-succinimidyl)uronium hexafluorophosphate

Structural Information

Molecular Formula
C13H20N3O3
SMILES
C1CCN(C1)C(=[N+]2CCCC2)ON3C(=O)CCC3=O
InChI
InChI=1S/C13H20N3O3/c17-11-5-6-12(18)16(11)19-13(14-7-1-2-8-14)15-9-3-4-10-15/h1-10H2/q+1
InChIKey
IFYOZCQVRXPXHU-UHFFFAOYSA-N
Compound name
1-[pyrrolidin-1-ium-1-ylidene(pyrrolidin-1-yl)methoxy]pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

266.15045 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.15773 166.7
[M+Na]+ 289.13967 170.2
[M-H]- 265.14317 172.2
[M+NH4]+ 284.18427 183.1
[M+K]+ 305.11361 163.6
[M+H-H2O]+ 249.14771 160.5
[M+HCOO]- 311.14865 182.3
[M+CH3COO]- 325.16430 184.0
[M+Na-2H]- 287.12512 163.6
[M]+ 266.14990 159.0
[M]- 266.15100 159.0
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