CID 145692

S-methyl-l-methionine

Structural Information

Molecular Formula
C6H14NO2S
SMILES
C[S+](C)CC[C@@H](C(=O)O)N
InChI
InChI=1S/C6H13NO2S/c1-10(2)4-3-5(7)6(8)9/h5H,3-4,7H2,1-2H3/p+1/t5-/m0/s1
InChIKey
YDBYJHTYSHBBAU-YFKPBYRVSA-O
Compound name
[(3S)-3-amino-3-carboxypropyl]-dimethylsulfanium
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

198
References

4777
Patents

164.07452 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.08180 133.3
[M+Na]+ 187.06374 138.5
[M-H]- 163.06724 132.0
[M+NH4]+ 182.10834 152.7
[M+K]+ 203.03768 132.0
[M+H-H2O]+ 147.07178 131.0
[M+HCOO]- 209.07272 147.7
[M+CH3COO]- 223.08837 171.0
[M+Na-2H]- 185.04919 134.6
[M]+ 164.07397 131.5
[M]- 164.07507 131.5
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.