CID 104681024

2-(2-aminoethyl)-5,5-dimethylhexanoic acid hydrochloride

Structural Information

Molecular Formula
C10H21NO2
SMILES
CC(C)(C)CCC(CCN)C(=O)O
InChI
InChI=1S/C10H21NO2/c1-10(2,3)6-4-8(5-7-11)9(12)13/h8H,4-7,11H2,1-3H3,(H,12,13)
InChIKey
DMIULEXXWIUZKO-UHFFFAOYSA-N
Compound name
2-(2-aminoethyl)-5,5-dimethylhexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.15723 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.164506 147.5
[M+Na]+ 210.146448 152.1
[M-H]- 186.149954 145.5
[M+NH4]+ 205.191053 166.1
[M+K]+ 226.120388 151.2
[M+H-H2O]+ 170.154490 142.8
[M+HCOO]- 232.155431 166.0
[M+CH3COO]- 246.171081 185.2
[M+Na-2H]- 208.131896 149.2
[M]+ 187.15668142 146.8
[M]- 187.15777858 146.8
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.