CID 14572971

32046-75-6

Structural Information

Molecular Formula
C11H21NO6
SMILES
CCCCOCC(CN(CC(=O)O)CC(=O)O)O
InChI
InChI=1S/C11H21NO6/c1-2-3-4-18-8-9(13)5-12(6-10(14)15)7-11(16)17/h9,13H,2-8H2,1H3,(H,14,15)(H,16,17)
InChIKey
MEFRSPCAEIYGIX-UHFFFAOYSA-N
Compound name
2-[(3-butoxy-2-hydroxypropyl)-(carboxymethyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

263.1369 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.14418 161.2
[M+Na]+ 286.12612 163.8
[M-H]- 262.12962 157.7
[M+NH4]+ 281.17072 175.4
[M+K]+ 302.10006 164.4
[M+H-H2O]+ 246.13416 154.9
[M+HCOO]- 308.13510 179.1
[M+CH3COO]- 322.15075 196.1
[M+Na-2H]- 284.11157 160.0
[M]+ 263.13635 164.3
[M]- 263.13745 164.3
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

No patent data available for this compound.