CID 87213640

(2s)-1-amino-3-(methylsulfanyl)propan-2-ol hydrochloride

Structural Information

Molecular Formula
C4H11NOS
SMILES
CSC[C@H](CN)O
InChI
InChI=1S/C4H11NOS/c1-7-3-4(6)2-5/h4,6H,2-3,5H2,1H3/t4-/m0/s1
InChIKey
KEIQKKPJCFAQSV-BYPYZUCNSA-N
Compound name
(2S)-1-amino-3-methylsulfanylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

121.05614 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.06342 123.8
[M+Na]+ 144.04536 132.1
[M+NH4]+ 139.08996 132.0
[M+K]+ 160.01930 126.0
[M-H]- 120.04886 123.5
[M+Na-2H]- 142.03081 126.3
[M]+ 121.05559 125.0
[M]- 121.05669 125.0
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