CID 6328473

O-ethyl n,n-dimethylamino-s-(2-diethylaminoethyl)thiophosphate

Structural Information

Molecular Formula
C11H27N2O2PS
SMILES
CC[N+](C)(CC)CCS[P+](=O)OCCN(C)C
InChI
InChI=1S/C11H27N2O2PS/c1-6-13(5,7-2)9-11-17-16(14)15-10-8-12(3)4/h6-11H2,1-5H3/q+2
InChIKey
LMHQMOHQJFFFGF-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)ethoxy-oxophosphaniumyl]sulfanylethyl-diethyl-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

282.15308 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.16036 160.0
[M+Na]+ 305.14230 163.5
[M-H]- 281.14580 161.8
[M+NH4]+ 300.18690 177.3
[M+K]+ 321.11624 153.1
[M+H-H2O]+ 265.15034 156.5
[M+HCOO]- 327.15128 183.3
[M+CH3COO]- 341.16693 199.8
[M+Na-2H]- 303.12775 164.1
[M]+ 282.15253 165.2
[M]- 282.15363 165.2
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.