CID 23290221

2-(diethylamino)butanoic acid hydrochloride

Structural Information

Molecular Formula
C8H17NO2
SMILES
CCC(C(=O)O)N(CC)CC
InChI
InChI=1S/C8H17NO2/c1-4-7(8(10)11)9(5-2)6-3/h7H,4-6H2,1-3H3,(H,10,11)
InChIKey
WXZZJKVGEJBSJP-UHFFFAOYSA-N
Compound name
2-(diethylamino)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

482
Patents

159.12593 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.13321 137.3
[M+Na]+ 182.11515 145.2
[M+NH4]+ 177.15975 144.0
[M+K]+ 198.08909 141.6
[M-H]- 158.11865 136.1
[M+Na-2H]- 180.10060 139.4
[M]+ 159.12538 137.6
[M]- 159.12648 137.6
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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