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

12
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 124.2
[M+Na]+ 144.04536 130.6
[M-H]- 120.04886 122.8
[M+NH4]+ 139.08996 145.8
[M+K]+ 160.01930 129.2
[M+H-H2O]+ 104.05340 119.4
[M+HCOO]- 166.05434 141.0
[M+CH3COO]- 180.06999 169.3
[M+Na-2H]- 142.03081 126.2
[M]+ 121.05559 123.7
[M]- 121.05669 123.7
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