CID 54595491

4-methanesulfinylbutan-2-amine hydrochloride

Structural Information

Molecular Formula
C5H13NOS
SMILES
CC(CCS(=O)C)N
InChI
InChI=1S/C5H13NOS/c1-5(6)3-4-8(2)7/h5H,3-4,6H2,1-2H3
InChIKey
MFWOBUUJNZADED-UHFFFAOYSA-N
Compound name
4-methylsulfinylbutan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

135.0718 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.07908 128.6
[M+Na]+ 158.06102 136.9
[M+NH4]+ 153.10562 136.7
[M+K]+ 174.03496 130.9
[M-H]- 134.06452 128.3
[M+Na-2H]- 156.04647 130.9
[M]+ 135.07125 129.9
[M]- 135.07235 129.9
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