CID 239820

4-(dimethylamino)butanoic acid

Structural Information

Molecular Formula
C6H13NO2
SMILES
CN(C)CCCC(=O)O
InChI
InChI=1S/C6H13NO2/c1-7(2)5-3-4-6(8)9/h3-5H2,1-2H3,(H,8,9)
InChIKey
OXOWTLDONRGYOT-UHFFFAOYSA-N
Compound name
4-(dimethylamino)butanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

4632
Patents

131.09464 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.101916 128.4
[M+Na]+ 154.083858 134.6
[M-H]- 130.087364 128.8
[M+NH4]+ 149.128463 150.1
[M+K]+ 170.057798 135.6
[M+H-H2O]+ 114.091900 123.5
[M+HCOO]- 176.092841 151.9
[M+CH3COO]- 190.108491 176.7
[M+Na-2H]- 152.069306 133.1
[M]+ 131.09409142 129.8
[M]- 131.09518858 129.8
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