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

9244
References

48627
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

literature stripe

Patent stripe

patents stripe