CID 10911448

172531-37-2

Structural Information

Molecular Formula
C8H15N3O5
SMILES
C(COCCOCCOCC(=O)O)N=[N+]=[N-]
InChI
InChI=1S/C8H15N3O5/c9-11-10-1-2-14-3-4-15-5-6-16-7-8(12)13/h1-7H2,(H,12,13)
InChIKey
GIXBCECBLAEYKA-UHFFFAOYSA-N
Compound name
2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

203
Patents

233.10117 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.10845 148.6
[M+Na]+ 256.09039 152.9
[M-H]- 232.09389 149.5
[M+NH4]+ 251.13499 165.4
[M+K]+ 272.06433 149.2
[M+H-H2O]+ 216.09843 146.1
[M+HCOO]- 278.09937 177.3
[M+CH3COO]- 292.11502 190.3
[M+Na-2H]- 254.07584 156.7
[M]+ 233.10062 152.1
[M]- 233.10172 152.1
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