CID 22731902

Amino-peg4-acid

Structural Information

Molecular Formula
C11H23NO6
SMILES
C(COCCOCCOCCOCCN)C(=O)O
InChI
InChI=1S/C11H23NO6/c12-2-4-16-6-8-18-10-9-17-7-5-15-3-1-11(13)14/h1-10,12H2,(H,13,14)
InChIKey
DKUZHSDZSMQOGQ-UHFFFAOYSA-N
Compound name
3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

19
References

746
Patents

265.15253 Da
Monoisotopic Mass

-4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.159806 160.2
[M+Na]+ 288.141748 163.6
[M-H]- 264.145254 157.3
[M+NH4]+ 283.186353 175.1
[M+K]+ 304.115688 163.7
[M+H-H2O]+ 248.149790 153.3
[M+HCOO]- 310.150731 181.8
[M+CH3COO]- 324.166381 196.0
[M+Na-2H]- 286.127196 162.4
[M]+ 265.15198142 166.9
[M]- 265.15307858 166.9
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