CID 11263498

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

121.05614 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.063416 124.2
[M+Na]+ 144.045358 130.6
[M-H]- 120.048864 122.8
[M+NH4]+ 139.089963 145.8
[M+K]+ 160.019298 129.2
[M+H-H2O]+ 104.053400 119.4
[M+HCOO]- 166.054341 141.0
[M+CH3COO]- 180.069991 169.3
[M+Na-2H]- 142.030806 126.2
[M]+ 121.05559142 123.7
[M]- 121.05668858 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