CID 135729

2-methylmethionine

Structural Information

Molecular Formula
C6H13NO2S
SMILES
C[C@](CCSC)(C(=O)O)N
InChI
InChI=1S/C6H13NO2S/c1-6(7,5(8)9)3-4-10-2/h3-4,7H2,1-2H3,(H,8,9)/t6-/m0/s1
InChIKey
ZYVMPHJZWXIFDQ-LURJTMIESA-N
Compound name
(2S)-2-amino-2-methyl-4-methylsulfanylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

3191
Patents

163.0667 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.07398 135.8
[M+Na]+ 186.05592 141.8
[M-H]- 162.05942 134.2
[M+NH4]+ 181.10052 155.6
[M+K]+ 202.02986 140.1
[M+H-H2O]+ 146.06396 131.0
[M+HCOO]- 208.06490 150.9
[M+CH3COO]- 222.08055 176.7
[M+Na-2H]- 184.04137 137.5
[M]+ 163.06615 136.2
[M]- 163.06725 136.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe