CID 113684

Usaf b-92

Structural Information

Molecular Formula
C7H18N3S
SMILES
CN(C)C(=[N+](C)C)SCCN
InChI
InChI=1S/C7H18N3S/c1-9(2)7(10(3)4)11-6-5-8/h5-6,8H2,1-4H3/q+1
InChIKey
HVJBYKHVGASDTG-UHFFFAOYSA-N
Compound name
[2-aminoethylsulfanyl(dimethylamino)methylidene]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.12215 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.12943 137.5
[M+Na]+ 199.11137 142.2
[M-H]- 175.11487 140.3
[M+NH4]+ 194.15597 158.1
[M+K]+ 215.08531 137.2
[M+H-H2O]+ 159.11941 133.7
[M+HCOO]- 221.12035 157.4
[M+CH3COO]- 235.13600 185.7
[M+Na-2H]- 197.09682 140.3
[M]+ 176.12160 137.0
[M]- 176.12270 137.0
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.