CID 2723789

Thiosemicarbazide

Structural Information

Molecular Formula
CH5N3S
SMILES
C(=S)(N)NN
InChI
InChI=1S/CH5N3S/c2-1(5)4-3/h3H2,(H3,2,4,5)
InChIKey
BRWIZMBXBAOCCF-UHFFFAOYSA-N
Compound name
aminothiourea
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

973
References

30545
Patents

91.02042 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 92.027696 113.6
[M+Na]+ 114.00964 120.3
[M-H]- 90.013144 113.4
[M+NH4]+ 109.05424 135.9
[M+K]+ 129.98358 118.8
[M+H-H2O]+ 74.017680 108.2
[M+HCOO]- 136.01862 133.9
[M+CH3COO]- 150.03427 168.5
[M+Na-2H]- 111.99509 117.0
[M]+ 91.019871 108.9
[M]- 91.020969 108.9
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