CID 21056

Hc 8209

Structural Information

Molecular Formula
C9H23NOPS3
SMILES
CC[N+](C)(CC)CCSP(=O)(SC)SC
InChI
InChI=1S/C9H23NOPS3/c1-6-10(3,7-2)8-9-15-12(11,13-4)14-5/h6-9H2,1-5H3/q+1
InChIKey
WOFQWJQHAWCTFD-UHFFFAOYSA-N
Compound name
2-bis(methylsulfanyl)phosphorylsulfanylethyl-diethyl-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.06793 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.07521 154.6
[M+Na]+ 311.05715 162.5
[M+NH4]+ 306.10175 163.1
[M+K]+ 327.03109 153.7
[M-H]- 287.06065 155.6
[M+Na-2H]- 309.04260 156.3
[M]+ 288.06738 157.6
[M]- 288.06848 157.6
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.