CID 3032338

Ethylthiourea

Structural Information

Molecular Formula
C3H8N2S
SMILES
CCNC(=S)N
InChI
InChI=1S/C3H8N2S/c1-2-5-3(4)6/h2H2,1H3,(H3,4,5,6)
InChIKey
GMEHFXXZSWDEDB-UHFFFAOYSA-N
Compound name
ethylthiourea
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

11
References

4551
Patents

104.04082 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.04810 118.9
[M+Na]+ 127.03004 125.7
[M-H]- 103.03354 119.2
[M+NH4]+ 122.07464 141.6
[M+K]+ 143.00398 124.4
[M+H-H2O]+ 87.038080 113.8
[M+HCOO]- 149.03902 138.4
[M+CH3COO]- 163.05467 170.1
[M+Na-2H]- 125.01549 122.1
[M]+ 104.04027 116.9
[M]- 104.04137 116.9
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