CID 910834

4-amino-3,3-dimethylbutanoic acid hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

8
References

309
Patents

131.09464 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.101916 128.8
[M+Na]+ 154.083858 135.2
[M-H]- 130.087364 127.4
[M+NH4]+ 149.128463 149.6
[M+K]+ 170.057798 134.8
[M+H-H2O]+ 114.091900 124.7
[M+HCOO]- 176.092841 149.6
[M+CH3COO]- 190.108491 172.8
[M+Na-2H]- 152.069306 133.8
[M]+ 131.09409142 127.3
[M]- 131.09518858 127.3
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

patents stripe