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]+ 215.13902 148.9
[M+Na]+ 237.12096 152.5
[M-H]- 213.12446 143.3
[M+NH4]+ 232.16556 160.4
[M+K]+ 253.09490 151.0
[M+H-H2O]+ 197.12900 144.7
[M+HCOO]- 259.12994 161.3
[M+CH3COO]- 273.14559 175.8
[M+Na-2H]- 235.10641 149.5
[M]+ 214.13119 138.8
[M]- 214.13229 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.