CID 440638

Betaala-lys

Structural Information

Molecular Formula
C9H19N3O3
SMILES
C(CCN)C[C@@H](C(=O)O)NC(=O)CCN
InChI
InChI=1S/C9H19N3O3/c10-5-2-1-3-7(9(14)15)12-8(13)4-6-11/h7H,1-6,10-11H2,(H,12,13)(H,14,15)/t7-/m0/s1
InChIKey
PLDCWKCPEXNWJH-ZETCQYMHSA-N
Compound name
(2S)-6-amino-2-(3-aminopropanoylamino)hexanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

106
Patents

217.14264 Da
Monoisotopic Mass

-5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.14992 151.7
[M+Na]+ 240.13186 155.1
[M+NH4]+ 235.17646 155.5
[M+K]+ 256.10580 153.4
[M-H]- 216.13536 149.1
[M+Na-2H]- 238.11731 150.6
[M]+ 217.14209 150.4
[M]- 217.14319 150.4
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