CID 5467591

Nsc656174

Structural Information

Molecular Formula
C15H22NO4P
SMILES
CCCCOP(=O)(/C(=C/C1=CC=CO1)/C#N)OCCCC
InChI
InChI=1S/C15H22NO4P/c1-3-5-10-19-21(17,20-11-6-4-2)15(13-16)12-14-8-7-9-18-14/h7-9,12H,3-6,10-11H2,1-2H3/b15-12+
InChIKey
ZMOVJJIZVIPLSQ-NTCAYCPXSA-N
Compound name
(E)-2-dibutoxyphosphoryl-3-(furan-2-yl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.12863 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.13591 170.2
[M+Na]+ 334.11785 177.2
[M-H]- 310.12135 171.8
[M+NH4]+ 329.16245 184.1
[M+K]+ 350.09179 175.6
[M+H-H2O]+ 294.12589 155.0
[M+HCOO]- 356.12683 192.6
[M+CH3COO]- 370.14248 214.3
[M+Na-2H]- 332.10330 170.7
[M]+ 311.12808 172.1
[M]- 311.12918 172.1
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.