CID 5467936

Nsc660158

Structural Information

Molecular Formula
C16H24NO4P
SMILES
CCCCOP(=O)(/C(=C/C1=CC=C(O1)C)/C#N)OCCCC
InChI
InChI=1S/C16H24NO4P/c1-4-6-10-19-22(18,20-11-7-5-2)16(13-17)12-15-9-8-14(3)21-15/h8-9,12H,4-7,10-11H2,1-3H3/b16-12+
InChIKey
JNVCYZQGVVZUDS-FOWTUZBSSA-N
Compound name
(E)-2-dibutoxyphosphoryl-3-(5-methylfuran-2-yl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.1443 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.15158 173.6
[M+Na]+ 348.13352 181.0
[M-H]- 324.13702 175.5
[M+NH4]+ 343.17812 187.3
[M+K]+ 364.10746 179.3
[M+H-H2O]+ 308.14156 158.6
[M+HCOO]- 370.14250 195.7
[M+CH3COO]- 384.15815 218.0
[M+Na-2H]- 346.11897 173.2
[M]+ 325.14375 176.2
[M]- 325.14485 176.2
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.