CID 132372734

2172562-66-0

Structural Information

Molecular Formula
C6H9NO2S2
SMILES
CS(=O)(=O)C1=C(C=CS1)CN
InChI
InChI=1S/C6H9NO2S2/c1-11(8,9)6-5(4-7)2-3-10-6/h2-3H,4,7H2,1H3
InChIKey
AJSBTUJEKCFKAC-UHFFFAOYSA-N
Compound name
(2-methylsulfonylthiophen-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.00748 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.014756 138.6
[M+Na]+ 213.996698 148.3
[M-H]- 190.000204 142.2
[M+NH4]+ 209.041303 160.2
[M+K]+ 229.970638 144.4
[M+H-H2O]+ 174.004740 133.7
[M+HCOO]- 236.005681 153.1
[M+CH3COO]- 250.021331 179.1
[M+Na-2H]- 211.982146 139.7
[M]+ 191.00693142 140.7
[M]- 191.00802858 140.7
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.