CID 122163432

(5-methanesulfonylfuran-2-yl)methanamine hydrochloride

Structural Information

Molecular Formula
C6H9NO3S
SMILES
CS(=O)(=O)C1=CC=C(O1)CN
InChI
InChI=1S/C6H9NO3S/c1-11(8,9)6-3-2-5(4-7)10-6/h2-3H,4,7H2,1H3
InChIKey
BXMHHPDUTMFPMC-UHFFFAOYSA-N
Compound name
(5-methylsulfonylfuran-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.03032 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.037596 133.3
[M+Na]+ 198.019538 143.0
[M-H]- 174.023044 138.1
[M+NH4]+ 193.064143 154.3
[M+K]+ 213.993478 142.1
[M+H-H2O]+ 158.027580 128.7
[M+HCOO]- 220.028521 153.3
[M+CH3COO]- 234.044171 176.2
[M+Na-2H]- 196.004986 137.8
[M]+ 175.02977142 136.6
[M]- 175.03086858 136.6
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.