CID 362706

2-(2-(2-aminoethoxy)ethoxy)acetic acid

Structural Information

Molecular Formula
C6H13NO4
SMILES
C(COCCOCC(=O)O)N
InChI
InChI=1S/C6H13NO4/c7-1-2-10-3-4-11-5-6(8)9/h1-5,7H2,(H,8,9)
InChIKey
RUVRGYVESPRHSZ-UHFFFAOYSA-N
Compound name
2-[2-(2-aminoethoxy)ethoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

17
References

9213
Patents

163.08446 Da
Monoisotopic Mass

-3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.091736 133.9
[M+Na]+ 186.073678 139.7
[M-H]- 162.077184 132.0
[M+NH4]+ 181.118283 153.1
[M+K]+ 202.047618 139.8
[M+H-H2O]+ 146.081720 128.5
[M+HCOO]- 208.082661 156.7
[M+CH3COO]- 222.098311 176.7
[M+Na-2H]- 184.059126 138.3
[M]+ 163.08391142 135.8
[M]- 163.08500858 135.8
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