CID 3032450

N-nitrosoethylenethiourea

Structural Information

Molecular Formula
C3H5N3OS
SMILES
C1CN(C(=S)N1)N=O
InChI
InChI=1S/C3H5N3OS/c7-5-6-2-1-4-3(6)8/h1-2H2,(H,4,8)
InChIKey
VFGYPDCBIQSECG-UHFFFAOYSA-N
Compound name
1-nitrosoimidazolidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

9
Patents

131.01534 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.02262 123.2
[M+Na]+ 154.00456 132.1
[M-H]- 130.00806 124.5
[M+NH4]+ 149.04916 144.6
[M+K]+ 169.97850 130.6
[M+H-H2O]+ 114.01260 116.9
[M+HCOO]- 176.01354 141.3
[M+CH3COO]- 190.02919 169.4
[M+Na-2H]- 151.99001 126.1
[M]+ 131.01479 121.7
[M]- 131.01589 121.7
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