CID 177799827

Methyl 4-oxo-1,5-diazecane-7-carboxylate hydrochloride

Structural Information

Molecular Formula
C10H18N2O3
SMILES
COC(=O)C1CCCNCCC(=O)NC1
InChI
InChI=1S/C10H18N2O3/c1-15-10(14)8-3-2-5-11-6-4-9(13)12-7-8/h8,11H,2-7H2,1H3,(H,12,13)
InChIKey
RPPAMYOZUQDOGA-UHFFFAOYSA-N
Compound name
methyl 4-oxo-1,5-diazecane-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.13174 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.139016 148.9
[M+Na]+ 237.120958 152.5
[M-H]- 213.124464 143.3
[M+NH4]+ 232.165563 160.4
[M+K]+ 253.094898 151.0
[M+H-H2O]+ 197.129000 144.7
[M+HCOO]- 259.129941 161.3
[M+CH3COO]- 273.145591 175.8
[M+Na-2H]- 235.106406 149.5
[M]+ 214.13119142 138.8
[M]- 214.13228858 138.8
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

No patent data available for this compound.