CID 45760

As-7207

Structural Information

Molecular Formula
C14H34N2S
SMILES
CC[N+](C)(C)CCSCC[N+](CC)(CC)CC
InChI
InChI=1S/C14H34N2S/c1-7-15(5,6)11-13-17-14-12-16(8-2,9-3)10-4/h7-14H2,1-6H3/q+2
InChIKey
SUYKBVJGWYSWBF-UHFFFAOYSA-N
Compound name
triethyl-[2-[2-[ethyl(dimethyl)azaniumyl]ethylsulfanyl]ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.24426 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.25154 157.6
[M+Na]+ 285.23348 161.3
[M-H]- 261.23698 160.2
[M+NH4]+ 280.27808 175.8
[M+K]+ 301.20742 149.4
[M+H-H2O]+ 245.24152 156.9
[M+HCOO]- 307.24246 174.2
[M+CH3COO]- 321.25811 199.0
[M+Na-2H]- 283.21893 165.5
[M]+ 262.24371 161.0
[M]- 262.24481 161.0
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.