CID 73199757

2-amino-2,5,5-trimethylhexanoic acid hydrochloride

Structural Information

Molecular Formula
C9H19NO2
SMILES
CC(C)(C)CCC(C)(C(=O)O)N
InChI
InChI=1S/C9H19NO2/c1-8(2,3)5-6-9(4,10)7(11)12/h5-6,10H2,1-4H3,(H,11,12)
InChIKey
FQAOBRKWLRITRD-UHFFFAOYSA-N
Compound name
2-amino-2,5,5-trimethylhexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

173.14159 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.148866 141.6
[M+Na]+ 196.130808 147.3
[M-H]- 172.134314 140.1
[M+NH4]+ 191.175413 161.0
[M+K]+ 212.104748 146.7
[M+H-H2O]+ 156.138850 137.8
[M+HCOO]- 218.139791 159.9
[M+CH3COO]- 232.155441 181.7
[M+Na-2H]- 194.116256 146.1
[M]+ 173.14104142 140.7
[M]- 173.14213858 140.7
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

No patent data available for this compound.