CID 99248

S-butyl dipiperidinophosphinothioate

Structural Information

Molecular Formula
C14H29N2OPS
SMILES
CCCCSP(=O)(N1CCCCC1)N2CCCCC2
InChI
InChI=1S/C14H29N2OPS/c1-2-3-14-19-18(17,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h2-14H2,1H3
InChIKey
NRODSVPWDXZITO-UHFFFAOYSA-N
Compound name
1-[butylsulfanyl(piperidin-1-yl)phosphoryl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

304.17383 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.18111 171.0
[M+Na]+ 327.16305 178.8
[M+NH4]+ 322.20765 178.3
[M+K]+ 343.13699 170.7
[M-H]- 303.16655 172.6
[M+Na-2H]- 325.14850 174.4
[M]+ 304.17328 172.7
[M]- 304.17438 172.7
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