CID 97567

Carbamic acid, methylphosphono-, c-m-cumenyl diethyl ester

Structural Information

Molecular Formula
C15H24NO5P
SMILES
CCOP(=O)(N(C)C(=O)OC1=CC=CC(=C1)C(C)C)OCC
InChI
InChI=1S/C15H24NO5P/c1-6-19-22(18,20-7-2)16(5)15(17)21-14-10-8-9-13(11-14)12(3)4/h8-12H,6-7H2,1-5H3
InChIKey
BZOVFFFOVAHIFU-UHFFFAOYSA-N
Compound name
(3-propan-2-ylphenyl) N-diethoxyphosphoryl-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.13922 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.14650 177.8
[M+Na]+ 352.12844 182.5
[M-H]- 328.13194 181.3
[M+NH4]+ 347.17304 192.7
[M+K]+ 368.10238 183.6
[M+H-H2O]+ 312.13648 168.3
[M+HCOO]- 374.13742 205.0
[M+CH3COO]- 388.15307 215.0
[M+Na-2H]- 350.11389 177.0
[M]+ 329.13867 186.1
[M]- 329.13977 186.1
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.