CID 43753572

2-methyl-2-(methylamino)butanoic acid hydrochloride

Structural Information

Molecular Formula
C6H13NO2
SMILES
CCC(C)(C(=O)O)NC
InChI
InChI=1S/C6H13NO2/c1-4-6(2,7-3)5(8)9/h7H,4H2,1-3H3,(H,8,9)
InChIKey
RLSXYPXVDGQGTN-UHFFFAOYSA-N
Compound name
2-methyl-2-(methylamino)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

109
Patents

131.09464 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.101916 128.3
[M+Na]+ 154.083858 134.7
[M-H]- 130.087364 127.5
[M+NH4]+ 149.128463 149.4
[M+K]+ 170.057798 134.7
[M+H-H2O]+ 114.091900 124.2
[M+HCOO]- 176.092841 149.7
[M+CH3COO]- 190.108491 173.5
[M+Na-2H]- 152.069306 134.4
[M]+ 131.09409142 127.8
[M]- 131.09518858 127.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe