CID 3048513

Tl 383

Structural Information

Molecular Formula
C7H11N3S2
SMILES
CN(CCSC#N)CCSC#N
InChI
InChI=1S/C7H11N3S2/c1-10(2-4-11-6-8)3-5-12-7-9/h2-5H2,1H3
InChIKey
GUVRZNZIUUSTKK-UHFFFAOYSA-N
Compound name
2-[methyl(2-thiocyanatoethyl)amino]ethyl thiocyanate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.03944 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.04672 156.2
[M+Na]+ 224.02866 164.7
[M-H]- 200.03216 160.6
[M+NH4]+ 219.07326 170.0
[M+K]+ 240.00260 164.8
[M+H-H2O]+ 184.03670 141.6
[M+HCOO]- 246.03764 162.0
[M+CH3COO]- 260.05329 219.4
[M+Na-2H]- 222.01411 155.8
[M]+ 201.03889 151.9
[M]- 201.03999 151.9
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

No patent data available for this compound.