CID 13643396

Schembl268785

Structural Information

Molecular Formula
C8H15NO5
SMILES
C(CC(=O)O)C(=O)N(CCO)CCO
InChI
InChI=1S/C8H15NO5/c10-5-3-9(4-6-11)7(12)1-2-8(13)14/h10-11H,1-6H2,(H,13,14)
InChIKey
HMMIRWHBSMBXTH-UHFFFAOYSA-N
Compound name
4-[bis(2-hydroxyethyl)amino]-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

607
Patents

205.09502 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.102296 145.4
[M+Na]+ 228.084238 149.8
[M-H]- 204.087744 142.5
[M+NH4]+ 223.128843 162.3
[M+K]+ 244.058178 149.9
[M+H-H2O]+ 188.092280 139.8
[M+HCOO]- 250.093221 165.1
[M+CH3COO]- 264.108871 183.3
[M+Na-2H]- 226.069686 146.9
[M]+ 205.09447142 146.5
[M]- 205.09556858 146.5
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