CID 17863274

H-ile-met-oh

Structural Information

Molecular Formula
C11H22N2O3S
SMILES
CCC(C)C(C(=O)NC(CCSC)C(=O)O)N
InChI
InChI=1S/C11H22N2O3S/c1-4-7(2)9(12)10(14)13-8(11(15)16)5-6-17-3/h7-9H,4-6,12H2,1-3H3,(H,13,14)(H,15,16)
InChIKey
TUYOFUHICRWDGA-UHFFFAOYSA-N
Compound name
2-[(2-amino-3-methylpentanoyl)amino]-4-methylsulfanylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10
Patents

262.1351 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.14238 163.4
[M+Na]+ 285.12432 166.6
[M+NH4]+ 280.16892 167.6
[M+K]+ 301.09826 163.5
[M-H]- 261.12782 160.4
[M+Na-2H]- 283.10977 161.5
[M]+ 262.13455 162.6
[M]- 262.13565 162.6
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

patents stripe