CID 18763804

(2s)-2-(dimethylamino)butanoic acid

Structural Information

Molecular Formula
C6H13NO2
SMILES
CCC(C(=O)O)N(C)C
InChI
InChI=1S/C6H13NO2/c1-4-5(6(8)9)7(2)3/h5H,4H2,1-3H3,(H,8,9)
InChIKey
UNIKQYIJSJGRRS-UHFFFAOYSA-N
Compound name
2-(dimethylamino)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1491
Patents

131.09464 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.10192 128.6
[M+Na]+ 154.08386 134.6
[M-H]- 130.08736 129.1
[M+NH4]+ 149.12846 150.3
[M+K]+ 170.05780 136.0
[M+H-H2O]+ 114.09190 123.8
[M+HCOO]- 176.09284 151.1
[M+CH3COO]- 190.10849 177.6
[M+Na-2H]- 152.06931 132.1
[M]+ 131.09409 129.3
[M]- 131.09519 129.3
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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