CID 54594857

3-amino-4-(methylsulfanyl)butan-1-ol

Structural Information

Molecular Formula
C5H13NOS
SMILES
CSCC(CCO)N
InChI
InChI=1S/C5H13NOS/c1-8-4-5(6)2-3-7/h5,7H,2-4,6H2,1H3
InChIKey
KLZAYMUKQIJPJV-UHFFFAOYSA-N
Compound name
3-amino-4-methylsulfanylbutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

135.0718 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.07908 128.6
[M+Na]+ 158.06102 134.6
[M-H]- 134.06452 127.1
[M+NH4]+ 153.10562 149.7
[M+K]+ 174.03496 132.9
[M+H-H2O]+ 118.06906 123.6
[M+HCOO]- 180.07000 145.1
[M+CH3COO]- 194.08565 172.3
[M+Na-2H]- 156.04647 130.1
[M]+ 135.07125 128.5
[M]- 135.07235 128.5
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.