CID 18759534

356046-26-9

Structural Information

Molecular Formula
C12H24N6O5
SMILES
C(COCCOCCOCCOCCOCCN=[N+]=[N-])N=[N+]=[N-]
InChI
InChI=1S/C12H24N6O5/c13-17-15-1-3-19-5-7-21-9-11-23-12-10-22-8-6-20-4-2-16-18-14/h1-12H2
InChIKey
OQHIMLOZSDFRID-UHFFFAOYSA-N
Compound name
1-azido-2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

332.18082 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.188096 248.5
[M+Na]+ 355.170038 261.7
[M-H]- 331.173544 251.1
[M+NH4]+ 350.214643 253.0
[M+K]+ 371.143978 251.4
[M+H-H2O]+ 315.178080 232.8
[M+HCOO]- 377.179021 268.0
[M+CH3COO]- 391.194671 216.7
[M+Na-2H]- 353.155486 238.2
[M]+ 332.18027142 237.0
[M]- 332.18136858 237.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe