CID 432092

Lysinoalanine hydrochloride

Structural Information

Molecular Formula
C9H19N3O4
SMILES
C(CCNCC(C(=O)O)N)CC(C(=O)O)N
InChI
InChI=1S/C9H19N3O4/c10-6(8(13)14)3-1-2-4-12-5-7(11)9(15)16/h6-7,12H,1-5,10-11H2,(H,13,14)(H,15,16)
InChIKey
IMSOBGJSYSFTKG-UHFFFAOYSA-N
Compound name
2-amino-6-[(2-amino-2-carboxyethyl)amino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

233.13756 Da
Monoisotopic Mass

-6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.14484 154.8
[M+Na]+ 256.12678 156.7
[M-H]- 232.13028 150.6
[M+NH4]+ 251.17138 169.0
[M+K]+ 272.10072 156.2
[M+H-H2O]+ 216.13482 148.0
[M+HCOO]- 278.13576 173.6
[M+CH3COO]- 292.15141 195.7
[M+Na-2H]- 254.11223 152.7
[M]+ 233.13701 150.5
[M]- 233.13811 150.5
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.