CID 134687514

Nylon 612 cyclic monomer

Structural Information

Molecular Formula
C18H34N2O2
SMILES
C1CCCCCC(=O)NCCCCCCNC(=O)CCCC1
InChI
InChI=1S/C18H34N2O2/c21-17-13-9-5-3-1-2-4-6-10-14-18(22)20-16-12-8-7-11-15-19-17/h1-16H2,(H,19,21)(H,20,22)
InChIKey
ILKIORHURAMVGQ-UHFFFAOYSA-N
Compound name
1,8-diazacycloicosane-9,20-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.26202 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.269296 178.6
[M+Na]+ 333.251238 176.5
[M-H]- 309.254744 174.0
[M+NH4]+ 328.295843 184.6
[M+K]+ 349.225178 173.1
[M+H-H2O]+ 293.259280 173.5
[M+HCOO]- 355.260221 184.5
[M+CH3COO]- 369.275871 187.7
[M+Na-2H]- 331.236686 174.7
[M]+ 310.26147142 158.5
[M]- 310.26256858 158.5
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.