CID 199243

3858-19-3

Structural Information

Molecular Formula
C9H17O2P
SMILES
CCCCOP1(=O)CC=C(C1)C
InChI
InChI=1S/C9H17O2P/c1-3-4-6-11-12(10)7-5-9(2)8-12/h5H,3-4,6-8H2,1-2H3
InChIKey
DALGQXVMOLPXBN-UHFFFAOYSA-N
Compound name
1-butoxy-3-methyl-2,5-dihydro-1lambda5-phosphole 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.09662 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.10390 141.5
[M+Na]+ 211.08584 149.3
[M-H]- 187.08934 144.0
[M+NH4]+ 206.13044 165.8
[M+K]+ 227.05978 148.2
[M+H-H2O]+ 171.09388 134.8
[M+HCOO]- 233.09482 171.1
[M+CH3COO]- 247.11047 182.7
[M+Na-2H]- 209.07129 143.3
[M]+ 188.09607 145.1
[M]- 188.09717 145.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.