CID 5467928

Nsc660149

Structural Information

Molecular Formula
C13H18NO4P
SMILES
CC(C)OP(=O)(/C(=C/C1=CC=CO1)/C#N)OC(C)C
InChI
InChI=1S/C13H18NO4P/c1-10(2)17-19(15,18-11(3)4)13(9-14)8-12-6-5-7-16-12/h5-8,10-11H,1-4H3/b13-8+
InChIKey
HDHNSCQFOVIPGX-MDWZMJQESA-N
Compound name
(E)-2-di(propan-2-yloxy)phosphoryl-3-(furan-2-yl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.09735 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.10463 163.9
[M+Na]+ 306.08657 171.2
[M-H]- 282.09007 166.1
[M+NH4]+ 301.13117 178.7
[M+K]+ 322.06051 170.9
[M+H-H2O]+ 266.09461 149.3
[M+HCOO]- 328.09555 185.1
[M+CH3COO]- 342.11120 210.4
[M+Na-2H]- 304.07202 163.1
[M]+ 283.09680 164.0
[M]- 283.09790 164.0
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.