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]+ 176.03760 133.3
[M+Na]+ 198.01954 143.0
[M-H]- 174.02304 138.1
[M+NH4]+ 193.06414 154.3
[M+K]+ 213.99348 142.1
[M+H-H2O]+ 158.02758 128.7
[M+HCOO]- 220.02852 153.3
[M+CH3COO]- 234.04417 176.2
[M+Na-2H]- 196.00499 137.8
[M]+ 175.02977 136.6
[M]- 175.03087 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.