CID 60124273

(5-methanesulfonylthiophen-2-yl)methanamine hydrochloride

Structural Information

Molecular Formula
C6H9NO2S2
SMILES
CS(=O)(=O)C1=CC=C(S1)CN
InChI
InChI=1S/C6H9NO2S2/c1-11(8,9)6-3-2-5(4-7)10-6/h2-3H,4,7H2,1H3
InChIKey
HBWPQQXFWIVESS-UHFFFAOYSA-N
Compound name
(5-methylsulfonylthiophen-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

191.00748 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.01476 138.6
[M+Na]+ 213.99670 148.3
[M-H]- 190.00020 142.2
[M+NH4]+ 209.04130 160.2
[M+K]+ 229.97064 144.4
[M+H-H2O]+ 174.00474 133.7
[M+HCOO]- 236.00568 153.1
[M+CH3COO]- 250.02133 179.1
[M+Na-2H]- 211.98215 139.7
[M]+ 191.00693 140.7
[M]- 191.00803 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

patents stripe