CID 107469

Ethyl l-lysinate dihydrochloride

Structural Information

Molecular Formula
C8H18N2O2
SMILES
CCOC(=O)[C@H](CCCCN)N
InChI
InChI=1S/C8H18N2O2/c1-2-12-8(11)7(10)5-3-4-6-9/h7H,2-6,9-10H2,1H3/t7-/m0/s1
InChIKey
CZEPJJXZASVXQF-ZETCQYMHSA-N
Compound name
ethyl (2S)-2,6-diaminohexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

1572
Patents

174.13683 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.14411 142.6
[M+Na]+ 197.12605 147.0
[M-H]- 173.12955 141.4
[M+NH4]+ 192.17065 161.6
[M+K]+ 213.09999 146.8
[M+H-H2O]+ 157.13409 136.6
[M+HCOO]- 219.13503 165.1
[M+CH3COO]- 233.15068 185.8
[M+Na-2H]- 195.11150 144.1
[M]+ 174.13628 141.6
[M]- 174.13738 141.6
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