CID 7016114

Lys-met

Structural Information

Molecular Formula
C11H23N3O3S
SMILES
CSCC[C@@H](C(=O)O)NC(=O)[C@H](CCCCN)N
InChI
InChI=1S/C11H23N3O3S/c1-18-7-5-9(11(16)17)14-10(15)8(13)4-2-3-6-12/h8-9H,2-7,12-13H2,1H3,(H,14,15)(H,16,17)/t8-,9-/m0/s1
InChIKey
XBZOQGHZGQLEQO-IUCAKERBSA-N
Compound name
(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-4-methylsulfanylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1605
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

literature stripe

Patent stripe

patents stripe