CID 59103378

Azido-peg6-acid

Structural Information

Molecular Formula
C15H29N3O8
SMILES
C(COCCOCCOCCOCCOCCOCCN=[N+]=[N-])C(=O)O
InChI
InChI=1S/C15H29N3O8/c16-18-17-2-4-22-6-8-24-10-12-26-14-13-25-11-9-23-7-5-21-3-1-15(19)20/h1-14H2,(H,19,20)
InChIKey
KQYQHDQBMAJDRL-UHFFFAOYSA-N
Compound name
3-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

379.19547 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.202746 218.3
[M+Na]+ 402.184688 226.9
[M-H]- 378.188194 217.1
[M+NH4]+ 397.229293 222.2
[M+K]+ 418.158628 218.1
[M+H-H2O]+ 362.192730 211.1
[M+HCOO]- 424.193671 233.0
[M+CH3COO]- 438.209321 217.5
[M+Na-2H]- 400.170136 207.6
[M]+ 379.19492142 211.8
[M]- 379.19601858 211.8
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

patents stripe