CID 2778993

20469-71-0

Structural Information

Molecular Formula
CH4N2S2
SMILES
C(=S)(NN)S
InChI
InChI=1S/CH4N2S2/c2-3-1(4)5/h2H2,(H2,3,4,5)
InChIKey
YNNGZCVDIREDDK-UHFFFAOYSA-N
Compound name
aminocarbamodithioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

1777
Patents

107.98159 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 108.98887 115.2
[M+Na]+ 130.97081 122.6
[M-H]- 106.97431 115.2
[M+NH4]+ 126.01541 137.4
[M+K]+ 146.94475 119.7
[M+H-H2O]+ 90.978850 109.9
[M+HCOO]- 152.97979 128.9
[M+CH3COO]- 166.99544 169.3
[M+Na-2H]- 128.95626 117.0
[M]+ 107.98104 113.0
[M]- 107.98214 113.0
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