CID 132327671

N'-hydroxythiane-4-carboximidamide

Structural Information

Molecular Formula
C6H12N2OS
SMILES
C1CSCCC1/C(=N/O)/N
InChI
InChI=1S/C6H12N2OS/c7-6(8-9)5-1-3-10-4-2-5/h5,9H,1-4H2,(H2,7,8)
InChIKey
XKZCGRRQQYCBPA-UHFFFAOYSA-N
Compound name
N'-hydroxythiane-4-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

160.06703 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.07431 132.1
[M+Na]+ 183.05625 139.5
[M+NH4]+ 178.10085 140.7
[M+K]+ 199.03019 133.1
[M-H]- 159.05975 134.4
[M+Na-2H]- 181.04170 136.1
[M]+ 160.06648 133.8
[M]- 160.06758 133.8
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