CID 7016106

Ala-lys

Structural Information

Molecular Formula
C9H19N3O3
SMILES
C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)N
InChI
InChI=1S/C9H19N3O3/c1-6(11)8(13)12-7(9(14)15)4-2-3-5-10/h6-7H,2-5,10-11H2,1H3,(H,12,13)(H,14,15)/t6-,7-/m0/s1
InChIKey
QXRNAOYBCYVZCD-BQBZGAKWSA-N
Compound name
(2S)-6-amino-2-[[(2S)-2-aminopropanoyl]amino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

6
References

3737
Patents

217.14264 Da
Monoisotopic Mass

-3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.14992 153.1
[M+Na]+ 240.13186 155.6
[M-H]- 216.13536 150.4
[M+NH4]+ 235.17646 168.9
[M+K]+ 256.10580 155.4
[M+H-H2O]+ 200.13990 146.4
[M+HCOO]- 262.14084 173.2
[M+CH3COO]- 276.15649 195.0
[M+Na-2H]- 238.11731 151.3
[M]+ 217.14209 149.1
[M]- 217.14319 149.1
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