CID 17826843

5-amino-2,2-dimethylpentanoic acid hydrochloride

Structural Information

Molecular Formula
C7H15NO2
SMILES
CC(C)(CCCN)C(=O)O
InChI
InChI=1S/C7H15NO2/c1-7(2,6(9)10)4-3-5-8/h3-5,8H2,1-2H3,(H,9,10)
InChIKey
BCOUQGKXRXWITB-UHFFFAOYSA-N
Compound name
5-amino-2,2-dimethylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

145.11028 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.11756 133.4
[M+Na]+ 168.09950 139.4
[M-H]- 144.10300 131.8
[M+NH4]+ 163.14410 153.7
[M+K]+ 184.07344 138.7
[M+H-H2O]+ 128.10754 129.1
[M+HCOO]- 190.10848 153.9
[M+CH3COO]- 204.12413 175.9
[M+Na-2H]- 166.08495 137.9
[M]+ 145.10973 132.3
[M]- 145.11083 132.3
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