CID 44844

4-(diethylamino)butanoic acid

Structural Information

Molecular Formula
C8H17NO2
SMILES
CCN(CC)CCCC(=O)O
InChI
InChI=1S/C8H17NO2/c1-3-9(4-2)7-5-6-8(10)11/h3-7H2,1-2H3,(H,10,11)
InChIKey
XUDAWBWSOYRMRW-UHFFFAOYSA-N
Compound name
4-(diethylamino)butanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

211
Patents

159.12593 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.13321 137.0
[M+Na]+ 182.11515 145.3
[M+NH4]+ 177.15975 143.8
[M+K]+ 198.08909 140.8
[M-H]- 158.11865 136.0
[M+Na-2H]- 180.10060 139.5
[M]+ 159.12538 137.5
[M]- 159.12648 137.5
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

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