CID 54594658

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

Structural Information

Molecular Formula
C5H13NOS
SMILES
CC(CN)(CSC)O
InChI
InChI=1S/C5H13NOS/c1-5(7,3-6)4-8-2/h7H,3-4,6H2,1-2H3
InChIKey
FAAUGCYOEQBJIZ-UHFFFAOYSA-N
Compound name
1-amino-2-methyl-3-methylsulfanylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

135.0718 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.07908 129.3
[M+Na]+ 158.06102 137.4
[M+NH4]+ 153.10562 137.3
[M+K]+ 174.03496 131.4
[M-H]- 134.06452 128.5
[M+Na-2H]- 156.04647 131.7
[M]+ 135.07125 130.5
[M]- 135.07235 130.5
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

No patent data available for this compound.