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

0
Patents

173.14159 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.14887 141.6
[M+Na]+ 196.13081 147.3
[M-H]- 172.13431 140.1
[M+NH4]+ 191.17541 161.0
[M+K]+ 212.10475 146.7
[M+H-H2O]+ 156.13885 137.8
[M+HCOO]- 218.13979 159.9
[M+CH3COO]- 232.15544 181.7
[M+Na-2H]- 194.11626 146.1
[M]+ 173.14104 140.7
[M]- 173.14214 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.