CID 2723790

Thiourea

Structural Information

Molecular Formula
CH4N2S
SMILES
C(=S)(N)N
InChI
InChI=1S/CH4N2S/c2-1(3)4/h(H4,2,3,4)
InChIKey
UMGDCJDMYOKAJW-UHFFFAOYSA-N
Compound name
thiourea
Related CIDs

2D Structure

compound 2d structure
11
Annotation Hits

9262
References

83182
Patents

76.00952 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 77.016796 110.2
[M+Na]+ 98.998738 117.7
[M-H]- 75.002244 110.1
[M+NH4]+ 94.043343 133.5
[M+K]+ 114.97268 116.4
[M+H-H2O]+ 59.006780 105.4
[M+HCOO]- 121.00772 129.6
[M+CH3COO]- 135.02337 164.0
[M+Na-2H]- 96.984186 113.3
[M]+ 76.008971 106.4
[M]- 76.010069 106.4
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

No patent data available for this compound.