CID 135273

Calcium n-(hydroxymethyl)-dl-methionate

Structural Information

Molecular Formula
C6H13NO3S
SMILES
CSCCC(C(=O)O)NCO
InChI
InChI=1S/C6H13NO3S/c1-11-3-2-5(6(9)10)7-4-8/h5,7-8H,2-4H2,1H3,(H,9,10)
InChIKey
WUNWNURVJGOTHZ-UHFFFAOYSA-N
Compound name
2-(hydroxymethylamino)-4-methylsulfanylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

179.06161 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.06889 138.8
[M+Na]+ 202.05083 145.1
[M+NH4]+ 197.09543 144.9
[M+K]+ 218.02477 140.3
[M-H]- 178.05433 136.4
[M+Na-2H]- 200.03628 139.2
[M]+ 179.06106 138.9
[M]- 179.06216 138.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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