CID 6338203

22068-06-0

Structural Information

Molecular Formula
C7H17NOPS
SMILES
CCN(CC)CCS[P+](=O)C
InChI
InChI=1S/C7H17NOPS/c1-4-8(5-2)6-7-11-10(3)9/h4-7H2,1-3H3/q+1
InChIKey
LFCGCELNJNZDCG-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethylsulfanyl-methyl-oxophosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.07684 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.08412 140.2
[M+Na]+ 217.06606 145.8
[M-H]- 193.06956 141.1
[M+NH4]+ 212.11066 160.9
[M+K]+ 233.04000 140.4
[M+H-H2O]+ 177.07410 134.9
[M+HCOO]- 239.07504 164.3
[M+CH3COO]- 253.09069 184.4
[M+Na-2H]- 215.05151 140.9
[M]+ 194.07629 144.4
[M]- 194.07739 144.4
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.