CID 717699

56541-07-2

Structural Information

Molecular Formula
C6H8N2OS
SMILES
C1=COC(=C1)CNC(=S)N
InChI
InChI=1S/C6H8N2OS/c7-6(10)8-4-5-2-1-3-9-5/h1-3H,4H2,(H3,7,8,10)
InChIKey
XSWHIPZJAMCLRZ-UHFFFAOYSA-N
Compound name
furan-2-ylmethylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

156.03574 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.04302 131.4
[M+Na]+ 179.02496 138.8
[M-H]- 155.02846 135.6
[M+NH4]+ 174.06956 152.5
[M+K]+ 194.99890 137.5
[M+H-H2O]+ 139.03300 125.6
[M+HCOO]- 201.03394 152.2
[M+CH3COO]- 215.04959 176.5
[M+Na-2H]- 177.01041 134.9
[M]+ 156.03519 131.1
[M]- 156.03629 131.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe