CID 2724404

L-methioninol

Structural Information

Molecular Formula
C5H13NOS
SMILES
CSCC[C@@H](CO)N
InChI
InChI=1S/C5H13NOS/c1-8-3-2-5(6)4-7/h5,7H,2-4,6H2,1H3/t5-/m0/s1
InChIKey
MIQJGZAEWQQAPN-YFKPBYRVSA-N
Compound name
(2S)-2-amino-4-methylsulfanylbutan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

1112
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

literature stripe

Patent stripe

patents stripe