CID 15817888

2-amino-2,3-dimethylpentanoic acid hydrochloride

Structural Information

Molecular Formula
C7H15NO2
SMILES
CCC(C)C(C)(C(=O)O)N
InChI
InChI=1S/C7H15NO2/c1-4-5(2)7(3,8)6(9)10/h5H,4,8H2,1-3H3,(H,9,10)
InChIKey
RSPOGBIHKNKRFJ-UHFFFAOYSA-N
Compound name
2-amino-2,3-dimethylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

178
Patents

145.11028 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.11756 133.3
[M+Na]+ 168.09950 139.1
[M-H]- 144.10300 131.9
[M+NH4]+ 163.14410 153.6
[M+K]+ 184.07344 139.0
[M+H-H2O]+ 128.10754 129.2
[M+HCOO]- 190.10848 152.8
[M+CH3COO]- 204.12413 176.7
[M+Na-2H]- 166.08495 136.6
[M]+ 145.10973 131.6
[M]- 145.11083 131.6
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

patents stripe