CID 2761130

4-oxo-4-(5-oxo-1,4-diazepan-1-yl)butanoic acid

Structural Information

Molecular Formula
C9H14N2O4
SMILES
C1CN(CCNC1=O)C(=O)CCC(=O)O
InChI
InChI=1S/C9H14N2O4/c12-7-3-5-11(6-4-10-7)8(13)1-2-9(14)15/h1-6H2,(H,10,12)(H,14,15)
InChIKey
HPEJKYWQIOKNFI-UHFFFAOYSA-N
Compound name
4-oxo-4-(5-oxo-1,4-diazepan-1-yl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

214.09535 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.10263 143.6
[M+Na]+ 237.08457 149.3
[M+NH4]+ 232.12917 147.3
[M+K]+ 253.05851 148.6
[M-H]- 213.08807 140.5
[M+Na-2H]- 235.07002 144.7
[M]+ 214.09480 142.9
[M]- 214.09590 142.9
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