CID 314102

2-amino-3,5-dimethylhexanoic acid hydrochloride

Structural Information

Molecular Formula
C8H17NO2
SMILES
CC(C)CC(C)C(C(=O)O)N
InChI
InChI=1S/C8H17NO2/c1-5(2)4-6(3)7(9)8(10)11/h5-7H,4,9H2,1-3H3,(H,10,11)
InChIKey
ODXUKGZVQGQZIV-UHFFFAOYSA-N
Compound name
2-amino-3,5-dimethylhexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

159.12593 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.13321 139.5
[M+Na]+ 182.11515 144.0
[M-H]- 158.11865 137.7
[M+NH4]+ 177.15975 158.9
[M+K]+ 198.08909 144.2
[M+H-H2O]+ 142.12319 134.6
[M+HCOO]- 204.12413 158.2
[M+CH3COO]- 218.13978 181.4
[M+Na-2H]- 180.10060 138.9
[M]+ 159.12538 137.3
[M]- 159.12648 137.3
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