CID 10397086

3-amino-5,5-dimethylhexanoic acid hydrochloride

Structural Information

Molecular Formula
C8H17NO2
SMILES
CC(C)(C)CC(CC(=O)O)N
InChI
InChI=1S/C8H17NO2/c1-8(2,3)5-6(9)4-7(10)11/h6H,4-5,9H2,1-3H3,(H,10,11)
InChIKey
ZBCPPTZVOXHDMT-UHFFFAOYSA-N
Compound name
3-amino-5,5-dimethylhexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

159.12593 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.13321 138.2
[M+Na]+ 182.11515 143.7
[M-H]- 158.11865 136.6
[M+NH4]+ 177.15975 158.0
[M+K]+ 198.08909 143.3
[M+H-H2O]+ 142.12319 133.9
[M+HCOO]- 204.12413 157.4
[M+CH3COO]- 218.13978 179.1
[M+Na-2H]- 180.10060 141.0
[M]+ 159.12538 136.8
[M]- 159.12648 136.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe