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
2
Annotation Hits

3
References

2258
Patents

131.09464 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.10192 128.6
[M+Na]+ 154.08386 135.1
[M-H]- 130.08736 128.4
[M+NH4]+ 149.12846 150.2
[M+K]+ 170.05780 135.2
[M+H-H2O]+ 114.09190 123.6
[M+HCOO]- 176.09284 152.5
[M+CH3COO]- 190.10849 174.5
[M+Na-2H]- 152.06931 133.5
[M]+ 131.09409 129.5
[M]- 131.09519 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