CID 4347855

2-(methylsulfinyl)ethanamine

Structural Information

Molecular Formula
C3H9NOS
SMILES
CS(=O)CCN
InChI
InChI=1S/C3H9NOS/c1-6(5)3-2-4/h2-4H2,1H3
InChIKey
PGAOVVJJOXMLCQ-UHFFFAOYSA-N
Compound name
2-methylsulfinylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

151
Patents

107.04048 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 108.04776 118.6
[M+Na]+ 130.02970 126.1
[M-H]- 106.03320 118.9
[M+NH4]+ 125.07430 141.5
[M+K]+ 146.00364 125.3
[M+H-H2O]+ 90.037740 113.9
[M+HCOO]- 152.03868 137.4
[M+CH3COO]- 166.05433 168.0
[M+Na-2H]- 128.01515 121.5
[M]+ 107.03993 119.0
[M]- 107.04103 119.0
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