CID 4157492

101187-39-7

Structural Information

Molecular Formula
C8H16N6O3
SMILES
C(COCCOCCOCCN=[N+]=[N-])N=[N+]=[N-]
InChI
InChI=1S/C8H16N6O3/c9-13-11-1-3-15-5-7-17-8-6-16-4-2-12-14-10/h1-8H2
InChIKey
SFMMXKLNFMIUCH-UHFFFAOYSA-N
Compound name
1-azido-2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

188
Patents

244.12839 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.13567 151.7
[M+Na]+ 267.11761 155.1
[M-H]- 243.12111 236.9
[M+NH4]+ 262.16221 237.7
[M+K]+ 283.09155 147.4
[M+H-H2O]+ 227.12565 152.1
[M+HCOO]- 289.12659 255.4
[M+CH3COO]- 303.14224 201.0
[M+Na-2H]- 265.10306 164.3
[M]+ 244.12784 224.6
[M]- 244.12894 224.6
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