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
2
Annotation Hits

0
References

26
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 158.5
[M+Na]+ 282.02292 163.6
[M-H]- 258.02642 160.0
[M+NH4]+ 277.06752 176.1
[M+K]+ 297.99686 159.9
[M+H-H2O]+ 242.03096 152.3
[M+HCOO]- 304.03190 169.4
[M+CH3COO]- 318.04755 191.4
[M+Na-2H]- 280.00837 155.7
[M]+ 259.03315 160.8
[M]- 259.03425 160.8
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