CID 40542948

Thenoyl methionate

Structural Information

Molecular Formula
C10H13NO3S2
SMILES
CSCC[C@@H](C(=O)O)NC(=O)C1=CC=CS1
InChI
InChI=1S/C10H13NO3S2/c1-15-6-4-7(10(13)14)11-9(12)8-3-2-5-16-8/h2-3,5,7H,4,6H2,1H3,(H,11,12)(H,13,14)/t7-/m0/s1
InChIKey
GTPDHYQKBSCXAP-ZETCQYMHSA-N
Compound name
(2S)-4-methylsulfanyl-2-(thiophene-2-carbonylamino)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

259.0337 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.04098 157.0
[M+Na]+ 282.02292 162.9
[M+NH4]+ 277.06752 163.6
[M+K]+ 297.99686 157.6
[M-H]- 258.02642 156.7
[M+Na-2H]- 280.00837 158.3
[M]+ 259.03315 158.2
[M]- 259.03425 158.2
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