CID 45082336

(2s)-2-amino-5-(dimethylamino)pentanoic acid dihydrochloride

Structural Information

Molecular Formula
C7H16N2O2
SMILES
CN(C)CCC[C@@H](C(=O)O)N
InChI
InChI=1S/C7H16N2O2/c1-9(2)5-3-4-6(8)7(10)11/h6H,3-5,8H2,1-2H3,(H,10,11)/t6-/m0/s1
InChIKey
UGQZFFGZKJEVIY-LURJTMIESA-N
Compound name
(2S)-2-amino-5-(dimethylamino)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

160.12119 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.12847 138.1
[M+Na]+ 183.11041 142.7
[M-H]- 159.11391 137.8
[M+NH4]+ 178.15501 157.9
[M+K]+ 199.08435 143.6
[M+H-H2O]+ 143.11845 132.4
[M+HCOO]- 205.11939 160.6
[M+CH3COO]- 219.13504 185.0
[M+Na-2H]- 181.09586 140.0
[M]+ 160.12064 137.3
[M]- 160.12174 137.3
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.