CID 3034192

N,n-dimethylthiourea

Structural Information

Molecular Formula
C3H8N2S
SMILES
CN(C)C(=S)N
InChI
InChI=1S/C3H8N2S/c1-5(2)3(4)6/h1-2H3,(H2,4,6)
InChIKey
ZQGWBPQBZHMUFG-UHFFFAOYSA-N
Compound name
1,1-dimethylthiourea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

218
References

4248
Patents

104.04082 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.048096 119.2
[M+Na]+ 127.030038 126.2
[M-H]- 103.033544 121.0
[M+NH4]+ 122.074643 142.5
[M+K]+ 143.003978 126.2
[M+H-H2O]+ 87.038080 113.9
[M+HCOO]- 149.039021 139.1
[M+CH3COO]- 163.054671 173.6
[M+Na-2H]- 125.015486 121.7
[M]+ 104.04027142 118.5
[M]- 104.04136858 118.5
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