CID 10516636

201467-81-4

Structural Information

Molecular Formula
C10H19N3O6
SMILES
C(COCCOCCOCCOCC(=O)O)N=[N+]=[N-]
InChI
InChI=1S/C10H19N3O6/c11-13-12-1-2-16-3-4-17-5-6-18-7-8-19-9-10(14)15/h1-9H2,(H,14,15)
InChIKey
YHTABJLSZLHRFV-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

102
Patents

277.12738 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.134656 159.7
[M+Na]+ 300.116598 163.0
[M-H]- 276.120104 160.3
[M+NH4]+ 295.161203 198.6
[M+K]+ 316.090538 159.3
[M+H-H2O]+ 260.124640 156.6
[M+HCOO]- 322.125581 212.7
[M+CH3COO]- 336.141231 198.5
[M+Na-2H]- 298.102046 167.2
[M]+ 277.12683142 165.4
[M]- 277.12792858 165.4
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