CID 45779

As-7277

Structural Information

Molecular Formula
C12H30N2S
SMILES
CC[N+](C)(CC)CCSCC[N+](C)(C)C
InChI
InChI=1S/C12H30N2S/c1-7-14(6,8-2)10-12-15-11-9-13(3,4)5/h7-12H2,1-6H3/q+2
InChIKey
NBMXPFUYYAERMF-UHFFFAOYSA-N
Compound name
diethyl-methyl-[2-[2-(trimethylazaniumyl)ethylsulfanyl]ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.21297 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.22025 154.1
[M+Na]+ 257.20219 166.1
[M+NH4]+ 252.24679 164.7
[M+K]+ 273.17613 159.2
[M-H]- 233.20569 158.8
[M+Na-2H]- 255.18764 159.8
[M]+ 234.21242 158.4
[M]- 234.21352 158.4
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.