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]+ 177.129426 137.5
[M+Na]+ 199.111368 142.2
[M-H]- 175.114874 140.3
[M+NH4]+ 194.155973 158.1
[M+K]+ 215.085308 137.2
[M+H-H2O]+ 159.119410 133.7
[M+HCOO]- 221.120351 157.4
[M+CH3COO]- 235.136001 185.7
[M+Na-2H]- 197.096816 140.3
[M]+ 176.12160142 137.0
[M]- 176.12269858 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.