CID 139594563

Ns00000893

Structural Information

Molecular Formula
C10H15NO3S
SMILES
CN(C)CC1=CC=C(O1)CS(=O)CC=O
InChI
InChI=1S/C10H15NO3S/c1-11(2)7-9-3-4-10(14-9)8-15(13)6-5-12/h3-5H,6-8H2,1-2H3
InChIKey
CMHAMFZTWQLSGA-UHFFFAOYSA-N
Compound name
2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfinyl]acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.07727 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.084546 151.4
[M+Na]+ 252.066488 158.8
[M-H]- 228.069994 157.3
[M+NH4]+ 247.111093 170.9
[M+K]+ 268.040428 158.8
[M+H-H2O]+ 212.074530 145.3
[M+HCOO]- 274.075471 171.6
[M+CH3COO]- 288.091121 192.8
[M+Na-2H]- 250.051936 152.2
[M]+ 229.07672142 158.2
[M]- 229.07781858 158.2
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.