CID 432092

Lysinoalanine

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

101
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

literature stripe

Patent stripe

patents stripe