CID 119031372

Methyl (2s)-4-(acetylsulfanyl)-2-aminobutanoate hydrochloride

Structural Information

Molecular Formula
C7H13NO3S
SMILES
CC(=O)SCC[C@@H](C(=O)OC)N
InChI
InChI=1S/C7H13NO3S/c1-5(9)12-4-3-6(8)7(10)11-2/h6H,3-4,8H2,1-2H3/t6-/m0/s1
InChIKey
FVPIRUCFYDKQOX-LURJTMIESA-N
Compound name
methyl (2S)-4-acetylsulfanyl-2-aminobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

191.06161 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.06889 142.5
[M+Na]+ 214.05083 148.0
[M-H]- 190.05433 142.2
[M+NH4]+ 209.09543 161.7
[M+K]+ 230.02477 147.4
[M+H-H2O]+ 174.05887 136.8
[M+HCOO]- 236.05981 158.7
[M+CH3COO]- 250.07546 183.5
[M+Na-2H]- 212.03628 141.3
[M]+ 191.06106 145.1
[M]- 191.06216 145.1
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