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

57
Patents

145.11028 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.117556 133.4
[M+Na]+ 168.099498 139.4
[M-H]- 144.103004 131.8
[M+NH4]+ 163.144103 153.7
[M+K]+ 184.073438 138.7
[M+H-H2O]+ 128.107540 129.1
[M+HCOO]- 190.108481 153.9
[M+CH3COO]- 204.124131 175.9
[M+Na-2H]- 166.084946 137.9
[M]+ 145.10973142 132.3
[M]- 145.11082858 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