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 152.3
[M+Na]+ 311.05715 156.9
[M-H]- 287.06065 151.6
[M+NH4]+ 306.10175 168.9
[M+K]+ 327.03109 147.0
[M+H-H2O]+ 271.06519 145.6
[M+HCOO]- 333.06613 163.1
[M+CH3COO]- 347.08178 199.7
[M+Na-2H]- 309.04260 153.5
[M]+ 288.06738 154.9
[M]- 288.06848 154.9
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.