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

33
Patents

159.12593 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.133206 139.5
[M+Na]+ 182.115148 144.0
[M-H]- 158.118654 137.7
[M+NH4]+ 177.159753 158.9
[M+K]+ 198.089088 144.2
[M+H-H2O]+ 142.123190 134.6
[M+HCOO]- 204.124131 158.2
[M+CH3COO]- 218.139781 181.4
[M+Na-2H]- 180.100596 138.9
[M]+ 159.12538142 137.3
[M]- 159.12647858 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