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

31
Patents

115.02042 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.02770 125.9
[M+Na]+ 138.00964 134.4
[M-H]- 114.01314 127.0
[M+NH4]+ 133.05424 145.9
[M+K]+ 153.98358 133.9
[M+H-H2O]+ 98.017680 114.3
[M+HCOO]- 160.01862 142.0
[M+CH3COO]- 174.03427 184.7
[M+Na-2H]- 135.99509 128.9
[M]+ 115.01987 119.2
[M]- 115.02097 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