CID 139596250

[5-[(dimethylamino)methyl]furan-2-yl]methanesulfinic acid

Structural Information

Molecular Formula
C8H13NO3S
SMILES
CN(C)CC1=CC=C(O1)CS(=O)O
InChI
InChI=1S/C8H13NO3S/c1-9(2)5-7-3-4-8(12-7)6-13(10)11/h3-4H,5-6H2,1-2H3,(H,10,11)
InChIKey
NLHKGMGTPNBCNE-UHFFFAOYSA-N
Compound name
[5-[(dimethylamino)methyl]furan-2-yl]methanesulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.06161 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.068886 143.4
[M+Na]+ 226.050828 150.9
[M-H]- 202.054334 148.2
[M+NH4]+ 221.095433 163.3
[M+K]+ 242.024768 151.1
[M+H-H2O]+ 186.058870 137.8
[M+HCOO]- 248.059811 162.6
[M+CH3COO]- 262.075461 185.1
[M+Na-2H]- 224.036276 144.8
[M]+ 203.06106142 148.3
[M]- 203.06215858 148.3
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.