CID 23365

(4-ethoxy-4-oxobutyl)azanium;chloride

Structural Information

Molecular Formula
C6H13NO2
SMILES
CCOC(=O)CCCN
InChI
InChI=1S/C6H13NO2/c1-2-9-6(8)4-3-5-7/h2-5,7H2,1H3
InChIKey
MAFQLJCYFMKEJJ-UHFFFAOYSA-N
Compound name
ethyl 4-aminobutanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

2289
Patents

131.09464 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.101916 128.6
[M+Na]+ 154.083858 135.1
[M-H]- 130.087364 128.4
[M+NH4]+ 149.128463 150.2
[M+K]+ 170.057798 135.2
[M+H-H2O]+ 114.091900 123.6
[M+HCOO]- 176.092841 152.5
[M+CH3COO]- 190.108491 174.5
[M+Na-2H]- 152.069306 133.5
[M]+ 131.09409142 129.5
[M]- 131.09518858 129.5
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