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]+ 188.16451 147.5
[M+Na]+ 210.14645 152.1
[M-H]- 186.14995 145.5
[M+NH4]+ 205.19105 166.1
[M+K]+ 226.12039 151.2
[M+H-H2O]+ 170.15449 142.8
[M+HCOO]- 232.15543 166.0
[M+CH3COO]- 246.17108 185.2
[M+Na-2H]- 208.13190 149.2
[M]+ 187.15668 146.8
[M]- 187.15778 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.