CID 77876

4205-52-1

Structural Information

Molecular Formula
C12H20NOPS2
SMILES
CCCCNP(=S)(OCC)SC1=CC=CC=C1
InChI
InChI=1S/C12H20NOPS2/c1-3-5-11-13-15(16,14-4-2)17-12-9-7-6-8-10-12/h6-10H,3-5,11H2,1-2H3,(H,13,16)
InChIKey
GHUZYBDYQPFVHL-UHFFFAOYSA-N
Compound name
N-[ethoxy(phenylsulfanyl)phosphinothioyl]butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.0724 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.07968 161.2
[M+Na]+ 312.06162 170.3
[M+NH4]+ 307.10622 169.3
[M+K]+ 328.03556 160.2
[M-H]- 288.06512 163.2
[M+Na-2H]- 310.04707 165.8
[M]+ 289.07185 163.9
[M]- 289.07295 163.9
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.