CID 18218229

Methionyllysine

Structural Information

Molecular Formula
C11H23N3O3S
SMILES
CSCCC(C(=O)NC(CCCCN)C(=O)O)N
InChI
InChI=1S/C11H23N3O3S/c1-18-7-5-8(13)10(15)14-9(11(16)17)4-2-3-6-12/h8-9H,2-7,12-13H2,1H3,(H,14,15)(H,16,17)
InChIKey
IMTUWVJPCQPJEE-UHFFFAOYSA-N
Compound name
6-amino-2-[(2-amino-4-methylsulfanylbutanoyl)amino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

277.14603 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.15331 166.8
[M+Na]+ 300.13525 167.8
[M-H]- 276.13875 163.3
[M+NH4]+ 295.17985 180.4
[M+K]+ 316.10919 165.6
[M+H-H2O]+ 260.14329 159.3
[M+HCOO]- 322.14423 180.3
[M+CH3COO]- 336.15988 204.6
[M+Na-2H]- 298.12070 162.1
[M]+ 277.14548 165.6
[M]- 277.14658 165.6
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.