CID 162203

66356-53-4

Structural Information

Molecular Formula
C10H18N2OS
SMILES
CN(C)CC1=CC=C(O1)CSCCN
InChI
InChI=1S/C10H18N2OS/c1-12(2)7-9-3-4-10(13-9)8-14-6-5-11/h3-4H,5-8,11H2,1-2H3
InChIKey
JFGCGQJHMUYGLU-UHFFFAOYSA-N
Compound name
2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

386
Patents

214.11398 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.12126 149.9
[M+Na]+ 237.10320 156.4
[M-H]- 213.10670 155.0
[M+NH4]+ 232.14780 169.6
[M+K]+ 253.07714 155.6
[M+H-H2O]+ 197.11124 143.2
[M+HCOO]- 259.11218 170.6
[M+CH3COO]- 273.12783 193.8
[M+Na-2H]- 235.08865 151.1
[M]+ 214.11343 154.0
[M]- 214.11453 154.0
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.