CID 45791381

(2s)-2-amino-3-methyl-3-(methylsulfanyl)butan-1-ol

Structural Information

Molecular Formula
C6H15NOS
SMILES
CC(C)([C@H](CO)N)SC
InChI
InChI=1S/C6H15NOS/c1-6(2,9-3)5(7)4-8/h5,8H,4,7H2,1-3H3/t5-/m0/s1
InChIKey
FAWLFILOHCNVCQ-YFKPBYRVSA-N
Compound name
(2S)-2-amino-3-methyl-3-methylsulfanylbutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

149.08743 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.09471 133.6
[M+Na]+ 172.07665 139.5
[M-H]- 148.08015 132.1
[M+NH4]+ 167.12125 154.2
[M+K]+ 188.05059 138.0
[M+H-H2O]+ 132.08469 129.0
[M+HCOO]- 194.08563 148.3
[M+CH3COO]- 208.10128 175.6
[M+Na-2H]- 170.06210 135.2
[M]+ 149.08688 133.3
[M]- 149.08798 133.3
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.