CID 27369

15534-95-9

Structural Information

Molecular Formula
C5H10N2O2S
SMILES
C1CN(C(=S)N1CO)CO
InChI
InChI=1S/C5H10N2O2S/c8-3-6-1-2-7(4-9)5(6)10/h8-9H,1-4H2
InChIKey
QXYJLKUVMPXXKA-UHFFFAOYSA-N
Compound name
1,3-bis(hydroxymethyl)imidazolidine-2-thione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

254
Patents

162.0463 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.05358 133.2
[M+Na]+ 185.03552 141.7
[M-H]- 161.03902 131.7
[M+NH4]+ 180.08012 152.6
[M+K]+ 201.00946 139.0
[M+H-H2O]+ 145.04356 127.7
[M+HCOO]- 207.04450 146.6
[M+CH3COO]- 221.06015 169.6
[M+Na-2H]- 183.02097 133.1
[M]+ 162.04575 132.0
[M]- 162.04685 132.0
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

patents stripe