CID 547689

2-amino-4-ethoxybutanoic acid hydrochloride

Structural Information

Molecular Formula
C6H13NO3
SMILES
CCOCCC(C(=O)O)N
InChI
InChI=1S/C6H13NO3/c1-2-10-4-3-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)
InChIKey
YCSFMOVBARTLBW-UHFFFAOYSA-N
Compound name
2-amino-4-ethoxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

101
Patents

147.08954 Da
Monoisotopic Mass

-3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.09682 131.5
[M+Na]+ 170.07876 138.8
[M+NH4]+ 165.12336 137.6
[M+K]+ 186.05270 136.0
[M-H]- 146.08226 129.3
[M+Na-2H]- 168.06421 132.9
[M]+ 147.08899 131.4
[M]- 147.09009 131.4
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

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