CID 86346439

219662-56-3

Structural Information

Molecular Formula
C12H28NO3PS
SMILES
CCOP(=O)(OCC)SCCN(C(C)C)C(C)C
InChI
InChI=1S/C12H28NO3PS/c1-7-15-17(14,16-8-2)18-10-9-13(11(3)4)12(5)6/h11-12H,7-10H2,1-6H3
InChIKey
SMUBECNGNBBISQ-UHFFFAOYSA-N
Compound name
N-(2-diethoxyphosphorylsulfanylethyl)-N-propan-2-ylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

297.15274 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.16002 173.0
[M+Na]+ 320.14196 176.2
[M-H]- 296.14546 172.7
[M+NH4]+ 315.18656 189.7
[M+K]+ 336.11590 176.7
[M+H-H2O]+ 280.15000 164.1
[M+HCOO]- 342.15094 193.7
[M+CH3COO]- 356.16659 211.2
[M+Na-2H]- 318.12741 168.8
[M]+ 297.15219 182.3
[M]- 297.15329 182.3
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

patents stripe