CID 43610038

(oxan-4-yl)thiourea

Structural Information

Molecular Formula
C6H12N2OS
SMILES
C1COCCC1NC(=S)N
InChI
InChI=1S/C6H12N2OS/c7-6(10)8-5-1-3-9-4-2-5/h5H,1-4H2,(H3,7,8,10)
InChIKey
FWRZIRWKVXQQBV-UHFFFAOYSA-N
Compound name
oxan-4-ylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

160.06703 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.07431 133.2
[M+Na]+ 183.05625 141.0
[M+NH4]+ 178.10085 141.7
[M+K]+ 199.03019 134.9
[M-H]- 159.05975 136.9
[M+Na-2H]- 181.04170 136.7
[M]+ 160.06648 135.4
[M]- 160.06758 135.4
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

patents stripe