CID 113732

1-amino-2-phenylthio-2-propanol

Structural Information

Molecular Formula
C9H13NOS
SMILES
C1=CC=C(C=C1)SCC(CN)O
InChI
InChI=1S/C9H13NOS/c10-6-8(11)7-12-9-4-2-1-3-5-9/h1-5,8,11H,6-7,10H2
InChIKey
YBENHOMEFFYLRO-UHFFFAOYSA-N
Compound name
1-amino-3-phenylsulfanylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

183.0718 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.07908 138.1
[M+Na]+ 206.06102 148.4
[M+NH4]+ 201.10562 146.9
[M+K]+ 222.03496 140.7
[M-H]- 182.06452 140.5
[M+Na-2H]- 204.04647 143.8
[M]+ 183.07125 140.5
[M]- 183.07235 140.5
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