CID 108840

59793-60-1

Structural Information

Molecular Formula
C3H5N3S
SMILES
C(C#N)SC(=N)N
InChI
InChI=1S/C3H5N3S/c4-1-2-7-3(5)6/h2H2,(H3,5,6)
InChIKey
OTRRKMLWFXJTKO-UHFFFAOYSA-N
Compound name
cyanomethyl carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

115.02042 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.027696 125.9
[M+Na]+ 138.009638 134.4
[M-H]- 114.013144 127.0
[M+NH4]+ 133.054243 145.9
[M+K]+ 153.983578 133.9
[M+H-H2O]+ 98.017680 114.3
[M+HCOO]- 160.018621 142.0
[M+CH3COO]- 174.034271 184.7
[M+Na-2H]- 135.995086 128.9
[M]+ 115.01987142 119.2
[M]- 115.02096858 119.2
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

patents stripe