CID 205380

N-piperidylethyl diisopropylphosphate

Structural Information

Molecular Formula
C13H28NO4P
SMILES
CC(C)OP(=O)(OCCN1CCCCC1)OC(C)C
InChI
InChI=1S/C13H28NO4P/c1-12(2)17-19(15,18-13(3)4)16-11-10-14-8-6-5-7-9-14/h12-13H,5-11H2,1-4H3
InChIKey
IGMOFXNSLOAEAU-UHFFFAOYSA-N
Compound name
2-piperidin-1-ylethyl dipropan-2-yl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.1756 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.18288 173.2
[M+Na]+ 316.16482 175.1
[M-H]- 292.16832 172.4
[M+NH4]+ 311.20942 187.3
[M+K]+ 332.13876 175.7
[M+H-H2O]+ 276.17286 163.6
[M+HCOO]- 338.17380 193.4
[M+CH3COO]- 352.18945 203.4
[M+Na-2H]- 314.15027 171.3
[M]+ 293.17505 175.6
[M]- 293.17615 175.6
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.